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Submission: On March 20 via manual from US — Scanned from DE

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                <h2 class="AuthorHeader-module__syvlN margin-size-4-t">El-Bahy, Zeinhom Mohamed A.</h2><input type="hidden" name="authorPreferredName" class="hidden" value="El-Bahy, Zeinhom Mohamed A.">
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                  </els-tooltip><span class=""><a href="https://www.scopus.com/affil/profile.uri?afid=60004871" class="disabled" style="display: inline;"><span class="link__text">Al-Azhar University</span><span class="sr-only">disabled</span></a>,
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                                <tspan class="text-meta" style="font-variant-numeric: lining-nums">2003</tspan>
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                    <h4 class="margin-size-20-b">Most contributed Topics 2016–2020<span><els-popout targetelementid="info-button-area-of-expertise" position="above-left" id="info-popout" open="false">
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                                    <p>A Topic is a collection of documents with a common focused intellectual interest. Scopus publications are clustered into Topics based upon a direct citation analysis.</p>
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                                    <div class="list-title margin-size-24-t margin-size-0-b text-width-32"><els-typography tag="h4" variant="documents-title" bold="false" family="sans" size="xs" class="hydrated"><span class="list-title">Electronic
                                          structure, optical, thermoelectric and magnetic properties of A<sub>2</sub>CdP<sub>2</sub> (A = Ca, Sr and Ba) n-type narrow band gap semiconductors</span></els-typography></div>
                                    <div data-component="document-authors" class="author-list"><span><els-button variant="link" size="s" href="/authid/detail.uri?authorId=55781587300" tabindex="0" class="hydrated">Aman, S.</els-button></span>,
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                                      <a href="#disabled" title="Show document details" class="source-link disabled" tabindex="-1" data-publisher="Elsevier Ltd"><span class="link__text text-meta text-bold text-italic">Materials Science in Semiconductor Processing</span><span class="sr-only">this link is disabled</span></a>,
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                                            <div class="text-width-38">Structural, Optoelectronic, thermoelectric and magnetic properties of A2CdP2 (A = Ca, Sr and Ba) Zentl phase compounds in Cmc21 symmetry are investigated using FP-LAPW method with
                                              GGA-PBE, GGA-PBEsol, HSE06, G0W0 and GGA-mBJ potentials based on DFT. Estimated structure parameters are well agreement with the experiment. Cohesive energy shows that Ba2CdP2 is more stale then the rest
                                              compounds and posses high melting point. Electronic properties shows that all the compounds are direct band gap semiconductors at central symmetry while GGA-mBJ transit the direct band gap nature to
                                              indirect nature at ᴦ-H symmetry. The direct band gap values are ranging from 0.74 to 1.47 eV. The calculated band gaps are decreasing with the cation replacement and increasing by hybrid functionals. The
                                              result revel that all the compounds are optically active in infrared region of electromagnetic spectrum. Optical properties reveals that these compounds can be used as potential candidate for
                                              optoelectronic devices. Due to the narrow band gap semiconducting nature of these compounds their thermoelectric parameters are also calculated which shows that these compounds are efficient to use as the
                                              active thermoelectric materials. DFT and Post-DFT calculation indicate the paramagnetic nature of all compounds.</div>
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                                          dispersed active sites of Ni nanoparticles onto hierarchical reduced graphene oxide architecture towards efficient water oxidation</span></els-typography></div>
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                                            <div class="text-width-38">Herein, we reported a facile route to fabricate the Ni-NPs decorated over reduced graphene oxide (Ni/rGO) nanocomposite by an in-situ reduction method. It has been observed that
                                              the Ni/rGO drived the water oxidation at a very low overpotential of 1.42 VRHE (ŋ = 190 mV). Furthermore, the robust catalyst presented an extraordinary porosity and imperious kinetics performance while
                                              showing a high time of flight (0.2 s−1), mass activity (28 A/g) and smaller value of Tafel slope (62 mVdec−1) at an applied potential of 0.35 VRHE only. Ni/rGO also exhibited stable current density which
                                              leftovers sustained in alkaline water catalysis conducted for a prolonged time without any significant loss in catalytic efficiency. This outstanding catalytic activity of hierarchical Ni/rGO is
                                              comparable to avant-garde electrocatalytic material and even much better than the noble and transitional metal-centred eensy-weensy electrocatalytic assemblies with several drawbacks.</div>
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                                          OLi<sub>3</sub> and MgF<sub>3</sub> doped boron nitride with enhanced nonlinear optical behavior</span></els-typography></div>
                                    <div data-component="document-authors" class="author-list"><span><els-button variant="link" size="s" href="/authid/detail.uri?authorId=57357742100" tabindex="0" class="hydrated">Shafiq, S.</els-button></span>,
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                                      <a href="#disabled" title="Show document details" class="source-link disabled" tabindex="-1" data-publisher="Elsevier B.V."><span class="link__text text-meta text-bold text-italic">Journal of Molecular Structure</span><span class="sr-only">this link is disabled</span></a>,
                                      <span class="text-meta">2022, 1251, 131934</span></div><els-collapsible-panel-v2 open="false" data-testid="document-abstract-link" data-component="document-abstract-link" control-label="Show abstract"
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                                            <div class="text-width-38">The electrical and optical properties of superalkali (OLi3) and superhalogen (MgF3) doped boron nitride nanocage are investigated. Superalkali and superhalogen are doped
                                              physically and substitutionally with boron nitride and its geometrical and optoelectronic properties are analyzed and compared systematically. In the doped nanocage of boron nitride, the linear optical
                                              polarizability and nonlinear optical hyperpolarizability increases to a greater extent. The increasing trend of the hyperpolarizability in the nanocage of metal-doped boron nitride depends on the
                                              atomicity of superhalogen and superalkali metal. The energy bandgap of HOMO-LUMO also decreases due to the injection of new energy levels in all the doped compounds of boron nitride near the Fermi level.
                                              Among different combinations, MgF3 and OLi3 doped with B12N10 found the most reliable combination with enhanced linear and nonlinear optical polarizability. The current clue gives wide applications for
                                              boron nitride nanocage in electrical instruments and devices that play an important role in the designing of efficient nonlinear optical materials.</div>
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                                          silico and in vitro studies of Silver (I)-N heterocyclic carbene complexes</span></els-typography></div>
                                    <div data-component="document-authors" class="author-list"><span><els-button variant="link" size="s" href="/authid/detail.uri?authorId=57224087626" tabindex="0" class="hydrated">Sarfraz, A.</els-button></span>,
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                                      <a href="#disabled" title="Show document details" class="source-link disabled" tabindex="-1" data-publisher="Elsevier B.V."><span class="link__text text-meta text-bold text-italic">Journal of Molecular Structure</span><span class="sr-only">this link is disabled</span></a>,
                                      <span class="text-meta">2022, 1251, 131946</span></div><els-collapsible-panel-v2 open="false" data-testid="document-abstract-link" data-component="document-abstract-link" control-label="Show abstract"
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                                            <div class="text-width-38">In the present study, four silver based NHC (N-heterocyclic carbene) complexes (1c-4c) were designed and synthesized from their precursor salts (1b-4b). The successful synthesis
                                              of salts and complexes was assured through spectroscopic techniques (UV-visible, FTIR, 1H NMR) as well as mass spectrometry. The in silico ADMET study and molecular docking calculations predicted the
                                              compounds are good drug candidates having therapeutic potential against multiple cancer targets including COX-1, VEGFA, HIF as well as VGF. Results of in vitro study conducted through MTT assay confirmed
                                              that all test compounds have concentration dependent potency but silver complexes (1c-4c) have far superior activity than precursor, salts (1b-4b) and slightly lower than standard drugs (carboplatin and
                                              cisplatin) against various cancer cell lines. Among the studied compounds, 3c showed lowest IC50 value of 0.981 ± 0.09, 1.10 ± 0.14 and 0.973 ± 0.12 µg/mL against MCF-7, HCT-116 and A549 respectively. The
                                              test compounds were found good antibacterial agents, when screened against bacterial strains (Staphylococcus aureus, Micrococcus luteus, Escherichia coli and S. typhimurium), as well as antioxidant agents
                                              when tested against DPPH free radicals.</div>
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                                          crystallized using novel pyridinium template as highly active catalyst for synthesis of ethyl levulinate biofuel</span></els-typography></div>
                                    <div data-component="document-authors" class="author-list"><span><els-button variant="link" size="s" href="/authid/detail.uri?authorId=57219379935" tabindex="0" class="hydrated">Ma, Y.-K.</els-button></span>,
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                                          tabindex="0" class="hydrated">Ling, T.C.</els-button></span>, <span><els-button variant="link" size="s" href="/authid/detail.uri?authorId=57221420516" tabindex="0" class="hydrated">Ng,
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                                      <a href="#disabled" title="Show document details" class="source-link disabled" tabindex="-1" data-publisher="Elsevier B.V."><span class="link__text text-meta text-bold text-italic">Microporous and Mesoporous Materials</span><span class="sr-only">this link is disabled</span></a>,
                                      <span class="text-meta">2022, 333, 111754</span></div><els-collapsible-panel-v2 open="false" data-testid="document-abstract-link" data-component="document-abstract-link" control-label="Show abstract"
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                                            <div class="text-width-38">Silicoaluminophosphate Number 34 (SAPO-34) crystallized using novel N-heterocyclic organic template—1-propylpyridinium hydroxide ([PPy]OH)—as an excellent catalyst for the
                                              production of ethyl levulinate biofuel is reported. First, the time-dependent crystallization study of SAPO-34 using various spectroscopy, microscopy and analytical techniques is performed and it reveals
                                              that the precursor undergoes several important crystallization steps, namely dissolution of reactants (induction), nucleation and crystal growth of SAPO-34, before it transforms into a more metastable
                                              SAPO-36 crystalline phase. The resulting SAPO-34 solid (Si0.198Al0.475P0.327O2) exhibits high porosity (SBET = 673 m2/g, VTot = 0.27 cm3/g) and high Si content (Si/(Si + Al + P) = 0.198) which contribute
                                              to high surface acidity (2.52 mmol/g) as confirmed by the NH3-TPD analysis. The SAPO-34 catalyst shows 93.4% conversion to ethyl levulinate via esterification of levulinic acid with ethanol just within 20
                                              min at 190 °C under non-microwave instant heating, which is considered very fast as compared to other systems. In addition, high catalyst recyclability is observed even after fifth cycle of reaction, thus
                                              offering another promising pathway for crystallizing zeolites using this new class of template that are beneficial for catalytic biofuel upgrading process.</div>
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                                    <div class="list-title margin-size-24-t margin-size-0-b text-width-32"><els-typography tag="h4" variant="documents-title" bold="false" family="sans" size="xs" class="hydrated"><span class="list-title">ZIF-8-derived
                                          ZnO/C decorated hydroxyl-functionalized multi-walled carbon nanotubes as a new composite electrode for supercapacitor application</span></els-typography></div>
                                    <div data-component="document-authors" class="author-list"><span><els-button variant="link" size="s" href="/authid/detail.uri?authorId=56939031300" tabindex="0" class="hydrated">Otun, K.O.</els-button></span>,
                                      <span><els-button variant="link" size="s" href="/authid/detail.uri?authorId=57194568257" tabindex="0" class="hydrated">Xaba, M.S.</els-button></span>, <span><els-button variant="link" size="s"
                                          href="/authid/detail.uri?authorId=55235107300" tabindex="0" class="hydrated">Zong, S.</els-button></span>, ...<span><els-button variant="link" size="s" href="/authid/detail.uri?authorId=57194192844"
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                                          Z.M.</els-button></span></div>
                                    <div data-component="document-source" class="text-meta text-width-34"><span class="text-bold text-italic">Colloids and Interface Science Communications</span>, <span class="text-meta">2022, 47, 100589</span></div>
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                                            <div class="text-width-38">Due to the poor conductivity of metal-organic frameworks (MOFs), it is challenging to directly employ MOFs as electrode materials for supercapacitors. Herein,
                                              hydroxyl-functionalized multi-walled carbon nanotube (f-MWCNT) was used to decorate ZnO/C obtained from the prior calcination of pristine zeolitic imidazolate framework-8 (ZIF-8) and applied as electrode
                                              material for supercapacitor application. The resulting ZnO/C@f-MWCNT electrode exhibits excellent storage performance, as confirmed by the specific capacitance of 650 F/g at 1 A/g and a superior
                                              energy/power density compared to the single electrode. Additionally, the composite electrode displayed remarkable cycling stability of 70% after 5000 cycles and retained 75% of its initial capacitance at
                                              10 A/g, demonstrating good rate cyclability. The exceptional performance of ZnO/C@f-MWCNT was attributed to the synergistic effects offered by f-MWCNT which improved its electrical conductivity and ZnO/C
                                              that provided sufficient redox-active sites and structural stability. This work may promote the design of advanced MOF-based nanocomposites for energy storage application.</div>
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                                    <div class="list-title margin-size-24-t margin-size-0-b text-width-32"><els-typography tag="h4" variant="documents-title" bold="false" family="sans" size="xs" class="hydrated"><span class="list-title">A n-butanol
                                          gas sensor with enhanced gas sensing performance based on Co-doped BiVO<sub>4</sub> polyhedrons</span></els-typography></div>
                                    <div data-component="document-authors" class="author-list"><span><els-button variant="link" size="s" href="/authid/detail.uri?authorId=55503533700" tabindex="0" class="hydrated">Guo, W.</els-button></span>,
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                                          tabindex="0" class="hydrated">El-Bahy, Z.M.</els-button></span>, <span><els-button variant="link" size="s" href="/authid/detail.uri?authorId=36634677600" tabindex="0" class="hydrated">Mubarak,
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                                      <a href="#disabled" title="Show document details" class="source-link disabled" tabindex="-1" data-publisher="Elsevier B.V."><span class="link__text text-meta text-bold text-italic">Sensors and Actuators B: Chemical</span><span class="sr-only">this link is disabled</span></a>,
                                      <span class="text-meta">2022, 354, 131221</span></div><els-collapsible-panel-v2 open="false" data-testid="document-abstract-link" data-component="document-abstract-link" control-label="Show abstract"
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                                            <div class="text-width-38">N-butanol, a poisonous and flammable liquid, has great threat to human life and property security, which is of importance to monitor n-butanol in the environment. In this paper,
                                              the pure and Co-doped BiVO4 polyhedrons are successfully synthesized by hydrothermal method. A series of characterizations, such as XRD, XPS, SEM, UV, and EIS, etc., are used to analyze the crystal
                                              structure, morphology, element compositions, optical and electrochemical properties of the as-prepared samples. The optimal sample (3Co-BiVO4) exhibits high gas response (51.65) toward 100 ppm n-butanol,
                                              which is around four times higher than that of pure BiVO4 at 300 °C. In addition, the 3Co-BiVO4 also has fast response-recovery time, good humidity resistance, favorable selectivity to n-butanol, etc.
                                              Based on the above characterizations and gas sensing test results, the enhanced gas sensing mechanism for 3Co-BiVO4 is proposed. This work provides a feasible strategy to fabricate BiVO4 polyhedron by
                                              doping Co to greatly enhance the gas sensing properties for n-butanol.</div>
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                                          synthesis from Prunus bokhariensis non-edible seed oil by using green silver oxide nanocatalyst</span></els-typography></div>
                                    <div data-component="document-authors" class="author-list"><span><els-button variant="link" size="s" href="/authid/detail.uri?authorId=57200700053" tabindex="0" class="hydrated">Dawood, S.</els-button></span>,
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                                      <a href="#disabled" title="Show document details" class="source-link disabled" tabindex="-1" data-publisher="Elsevier Ltd"><span class="link__text text-meta text-bold text-italic">Chemosphere</span><span class="sr-only">this link is disabled</span></a>,
                                      <span class="text-meta">2022, 291, 132780</span></div><els-collapsible-panel-v2 open="false" data-testid="document-abstract-link" data-component="document-abstract-link" control-label="Show abstract"
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                                            <div class="text-width-38">The present work investigates the proficiency of green silver oxide nanocatalyst synthesised from Monotheca buxifolia (Falc.) Dcne. leaves extract, and their application for
                                              biodiesel synthesis from novel Prunus bokhariensis seed oil (non-edible). The seed oil content of 55% and FFA content of 0.80 mg KOH/g were reported. Several analytical tools (EDX, FT-IR, SEM and XRD)
                                              were used to characterise the Ag2O nanocatalyst. Maximum (89%) FAME yield of the PBSOB (Prunus bokhariensis seed oil biodiesel) was achieved at ambient transesterification conditions i.e. 3.5 wt%
                                              nanocatalyst loading, 2.5 h reaction time, 130 °C of reaction temperature and 12:1 alcohol to oil ratio. The synthesised PBSOB was additionally characterised by analytical methods like, GC-MS and FT-IR.
                                              The different aspects of fuel were identified i.e. flash point (84 °C), kinematic viscosity (4.01 cSt @ 40 °C), sulphur content (0.0003 wt %), density (0.853 kg/L) and acid number (0.167 mg KOH/g). All
                                              the above properties were verified and agreed well with biodiesel international standards (European Union (14214), China GB/T (20828) and ASTM (6751, 951). In general, Prunus bokhariensis seed oil and
                                              Ag2O nanocatalyst seem to be remarkably active, cheap and stable candidates for the biodiesel industry in future.</div>
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                                    <div class="list-title margin-size-24-t margin-size-0-b text-width-32"><els-typography tag="h4" variant="documents-title" bold="false" family="sans" size="xs" class="hydrated"><span class="list-title">Double linker
                                          MOF-derived NiO and NiO/Ni supercapacitor electrodes for enhanced energy storage</span></els-typography></div>
                                    <div data-component="document-authors" class="author-list"><span><els-button variant="link" size="s" href="/authid/detail.uri?authorId=56939031300" tabindex="0" class="hydrated">Otun, K.O.</els-button></span>,
                                      <span><els-button variant="link" size="s" href="/authid/detail.uri?authorId=57194568257" tabindex="0" class="hydrated">Xaba, M.S.</els-button></span>, <span><els-button variant="link" size="s"
                                          href="/authid/detail.uri?authorId=55235107300" tabindex="0" class="hydrated">Zong, S.</els-button></span>, ...<span><els-button variant="link" size="s" href="/authid/detail.uri?authorId=56976299000"
                                          tabindex="0" class="hydrated">El-Bahy, S.M.</els-button></span>, <span><els-button variant="link" size="s" href="/authid/detail.uri?authorId=6506690176" tabindex="0" class="hydrated">El-Bahy,
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                                      <a href="#disabled" title="Show document details" class="source-link disabled" tabindex="-1" data-publisher="Elsevier B.V."><span class="link__text text-meta text-bold text-italic">Colloids and Surfaces A: Physicochemical and Engineering Aspects</span><span class="sr-only">this link is disabled</span></a>,
                                      <span class="text-meta">2022, 634, 128019</span></div><els-collapsible-panel-v2 open="false" data-testid="document-abstract-link" data-component="document-abstract-link" control-label="Show abstract"
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                                            <div class="text-width-38">Metal-organic frameworks (MOFs)-derived nanomaterials have emerged as novel electrodes for electrochemical energy storage application. Herein, MOF-derived NiO and NiO/Ni composite
                                              electrodes have been successfully synthesized by a unique double-linker MOF-strategy involving a series of calcination procedures (400 °C, 500 °C and 600 °C). The introduction of calcination temperature
                                              influenced both the textural and electrochemical properties of the MOF-derived NiO/Ni-400 and NiO/Ni-500 composite electrodes obtained at 400 °C and 500 °C respectively, as well as the NiO-600 electrode
                                              produced at 600 °C. With the combined benefits of improved uniform pore-size distribution and electrical conductivity, the composite electrodes delivered an enhanced supercapacitor performance with
                                              specific capacitances of 104.6 mAg−1 (NiO/Ni-400) and 37.4 mAg−1 (NiO/Ni-500) compared with 28.5 mAg−1 for the NiO-600 electrode at the same current density. Interestingly, NiO/Ni retained about 90% of
                                              its original capacitance after 1000 cycles when measured in 3 M KOH electrolyte solution. Furthermore, the electrochemical kinetic analysis used to probe the energy storage mechanism revealed
                                              pseudocapacitive behaviors at all tested scan rates; with NiO/Ni contributing 67% of the total capacitance at a scan rate of 5 mV/s which increased to 87% at 100 mV/s. The results obtained confirm that
                                              the approach described in this study is promising for the design of MOF-based electrodes for energy storage applications.</div>
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                                          class="list-title">Ruthenium-Doping-Induced Amorphization of VS<sub>4</sub>Nanostructures with a Rich Sulfur Vacancy for Enhanced Hydrogen Evolution Reaction in a Neutral Electrolyte
                                          Medium</span></els-typography></div>
                                    <div data-component="document-authors" class="author-list"><span><els-button variant="link" size="s" href="/authid/detail.uri?authorId=57212572233" tabindex="0" class="hydrated">Karmakar, A.</els-button></span>,
                                      <span><els-button variant="link" size="s" href="/authid/detail.uri?authorId=57204005433" tabindex="0" class="hydrated">Sankar, S.S.</els-button></span>, <span><els-button variant="link" size="s"
                                          href="/authid/detail.uri?authorId=57211622742" tabindex="0" class="hydrated">Kumaravel, S.</els-button></span>, ...<span><els-button variant="link" size="s" href="/authid/detail.uri?authorId=6506690176"
                                          tabindex="0" class="hydrated">El-Bahy, Z.M.</els-button></span>, <span><els-button variant="link" size="s" href="/authid/detail.uri?authorId=57204293164" tabindex="0" class="hydrated">Kundu,
                                          S.</els-button></span></div>
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                                      <a href="#disabled" title="Show document details" class="source-link disabled" tabindex="-1" data-publisher="American Chemical Society"><span class="link__text text-meta text-bold text-italic">Inorganic Chemistry</span><span class="sr-only">this link is disabled</span></a>,
                                      <span class="text-meta">2022, 61(3), pp. 1685–1696</span></div><els-collapsible-panel-v2 open="false" data-testid="document-abstract-link" data-component="document-abstract-link" control-label="Show abstract"
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                                            <div class="text-width-38">The generation of pure H2 from a neutral electrolyte solution represents a transformative route with low cost and environmentally friendly nature. However, the complex kinetics of
                                              hydrogen evolution reaction (HER) via water electrolysis make its practical application to be difficult. Herein, we have reported Ru-doping-induced formation of VS4 nanostructures with a rich S vacancy
                                              for neutral HER in a 0.2 M phosphate buffer solution. The Ru-doped VS4 demands an overpotential value of 160 mV at 10 mA/cm2 current density with a lower catalyst loading of 0.1 mg/cm2, while pristine VS4
                                              demands a 374 mV overpotential with the same mass loading. 60 hours of chronoamperometric study reveals the excellent stability of Ru-doped VS4 materials, which is the highest amount of time ever reported
                                              for neutral HER. The marginal degradation of a catalyst under a long-term stability study was confirmed through inductively coupled plasma mass spectrometry (ICP-MS) analysis. The introduction of Ru to
                                              the VS4 lattice leads to a 4.35-fold increase in the turnover-frequency values compared to those of bare VS4 nanostructures. The higher HER activity of S-vacancy-enriched VS4 materials is thought to
                                              originate through effective water adsorption in S vacancy and Ru3+ sites followed by the dissociation of a H2O molecule, and S22- efficiently converts Had to H2. Also, post-HER characterization reveals
                                              that the transformation of some Ru3+ to Ru0 additionally favored the HER by providing a better H adsorption site under a static cathodic potential.</div>
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EL-BAHY, ZEINHOM MOHAMED A.


Affiliation information is based on the most recent publication
Al-Azhar Universitydisabled, Nasr City, Egypt
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METRICS OVERVIEW

62Documents by author
757Citations by 712 documents
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RESULTS LIST, SHOWING RESULTS 1 THROUGH 10 OF 62 RESULTS.

 * Article
   Electronic structure, optical, thermoelectric and magnetic properties of
   A2CdP2 (A = Ca, Sr and Ba) n-type narrow band gap semiconductors
   Aman, S., Albalawi, H., Tahir Farid, H.M., Mahmoud, K.H., El-Bahy, Z.M.
   Materials Science in Semiconductor Processingthis link is disabled, 2022,
   142, 106443
   Show abstract
   Related documents
   Structural, Optoelectronic, thermoelectric and magnetic properties of A2CdP2
   (A = Ca, Sr and Ba) Zentl phase compounds in Cmc21 symmetry are investigated
   using FP-LAPW method with GGA-PBE, GGA-PBEsol, HSE06, G0W0 and GGA-mBJ
   potentials based on DFT. Estimated structure parameters are well agreement
   with the experiment. Cohesive energy shows that Ba2CdP2 is more stale then
   the rest compounds and posses high melting point. Electronic properties shows
   that all the compounds are direct band gap semiconductors at central symmetry
   while GGA-mBJ transit the direct band gap nature to indirect nature at ᴦ-H
   symmetry. The direct band gap values are ranging from 0.74 to 1.47 eV. The
   calculated band gaps are decreasing with the cation replacement and
   increasing by hybrid functionals. The result revel that all the compounds are
   optically active in infrared region of electromagnetic spectrum. Optical
   properties reveals that these compounds can be used as potential candidate
   for optoelectronic devices. Due to the narrow band gap semiconducting nature
   of these compounds their thermoelectric parameters are also calculated which
   shows that these compounds are efficient to use as the active thermoelectric
   materials. DFT and Post-DFT calculation indicate the paramagnetic nature of
   all compounds.
   
   0
   Citations
 * Article
   Highly dispersed active sites of Ni nanoparticles onto hierarchical reduced
   graphene oxide architecture towards efficient water oxidation
   Zeenat, Maryum Javed, S., Ahmad, Z., ...Elnaggar, A.Y., El-Bahy, Z.M.
   Fuelthis link is disabled, 2022, 312, 122926
   Show abstract
   Related documents
   Herein, we reported a facile route to fabricate the Ni-NPs decorated over
   reduced graphene oxide (Ni/rGO) nanocomposite by an in-situ reduction method.
   It has been observed that the Ni/rGO drived the water oxidation at a very low
   overpotential of 1.42 VRHE (ŋ = 190 mV). Furthermore, the robust catalyst
   presented an extraordinary porosity and imperious kinetics performance while
   showing a high time of flight (0.2 s−1), mass activity (28 A/g) and smaller
   value of Tafel slope (62 mVdec−1) at an applied potential of 0.35 VRHE only.
   Ni/rGO also exhibited stable current density which leftovers sustained in
   alkaline water catalysis conducted for a prolonged time without any
   significant loss in catalytic efficiency. This outstanding catalytic activity
   of hierarchical Ni/rGO is comparable to avant-garde electrocatalytic material
   and even much better than the noble and transitional metal-centred
   eensy-weensy electrocatalytic assemblies with several drawbacks.
   
   1
   Citations
 * Article
   DFT study of OLi3 and MgF3 doped boron nitride with enhanced nonlinear
   optical behavior
   Shafiq, S., Shehzad, R.A., Yaseen, M., ...Mahmoud, K.H., El-Bahy, Z.M.
   Journal of Molecular Structurethis link is disabled, 2022, 1251, 131934
   Show abstract
   Related documents
   The electrical and optical properties of superalkali (OLi3) and superhalogen
   (MgF3) doped boron nitride nanocage are investigated. Superalkali and
   superhalogen are doped physically and substitutionally with boron nitride and
   its geometrical and optoelectronic properties are analyzed and compared
   systematically. In the doped nanocage of boron nitride, the linear optical
   polarizability and nonlinear optical hyperpolarizability increases to a
   greater extent. The increasing trend of the hyperpolarizability in the
   nanocage of metal-doped boron nitride depends on the atomicity of
   superhalogen and superalkali metal. The energy bandgap of HOMO-LUMO also
   decreases due to the injection of new energy levels in all the doped
   compounds of boron nitride near the Fermi level. Among different
   combinations, MgF3 and OLi3 doped with B12N10 found the most reliable
   combination with enhanced linear and nonlinear optical polarizability. The
   current clue gives wide applications for boron nitride nanocage in electrical
   instruments and devices that play an important role in the designing of
   efficient nonlinear optical materials.
   
   1
   Citations
 * Article
   Synthesis, In silico and in vitro studies of Silver (I)-N heterocyclic
   carbene complexes
   Sarfraz, A., Ashraf, R., Ali, S., ...El-Bahy, S.M., El-Bahy, Z.M.
   Journal of Molecular Structurethis link is disabled, 2022, 1251, 131946
   Show abstract
   Related documents
   In the present study, four silver based NHC (N-heterocyclic carbene)
   complexes (1c-4c) were designed and synthesized from their precursor salts
   (1b-4b). The successful synthesis of salts and complexes was assured through
   spectroscopic techniques (UV-visible, FTIR, 1H NMR) as well as mass
   spectrometry. The in silico ADMET study and molecular docking calculations
   predicted the compounds are good drug candidates having therapeutic potential
   against multiple cancer targets including COX-1, VEGFA, HIF as well as VGF.
   Results of in vitro study conducted through MTT assay confirmed that all test
   compounds have concentration dependent potency but silver complexes (1c-4c)
   have far superior activity than precursor, salts (1b-4b) and slightly lower
   than standard drugs (carboplatin and cisplatin) against various cancer cell
   lines. Among the studied compounds, 3c showed lowest IC50 value of 0.981 ±
   0.09, 1.10 ± 0.14 and 0.973 ± 0.12 µg/mL against MCF-7, HCT-116 and A549
   respectively. The test compounds were found good antibacterial agents, when
   screened against bacterial strains (Staphylococcus aureus, Micrococcus
   luteus, Escherichia coli and S. typhimurium), as well as antioxidant agents
   when tested against DPPH free radicals.
   
   0
   Citations
 * Article
   SAPO-34 crystallized using novel pyridinium template as highly active
   catalyst for synthesis of ethyl levulinate biofuel
   Ma, Y.-K., Chia, S., Daou, T.J., ...Ling, T.C., Ng, E.-P.
   Microporous and Mesoporous Materialsthis link is disabled, 2022, 333, 111754
   Show abstract
   Related documents
   Silicoaluminophosphate Number 34 (SAPO-34) crystallized using novel
   N-heterocyclic organic template—1-propylpyridinium hydroxide ([PPy]OH)—as an
   excellent catalyst for the production of ethyl levulinate biofuel is
   reported. First, the time-dependent crystallization study of SAPO-34 using
   various spectroscopy, microscopy and analytical techniques is performed and
   it reveals that the precursor undergoes several important crystallization
   steps, namely dissolution of reactants (induction), nucleation and crystal
   growth of SAPO-34, before it transforms into a more metastable SAPO-36
   crystalline phase. The resulting SAPO-34 solid (Si0.198Al0.475P0.327O2)
   exhibits high porosity (SBET = 673 m2/g, VTot = 0.27 cm3/g) and high Si
   content (Si/(Si + Al + P) = 0.198) which contribute to high surface acidity
   (2.52 mmol/g) as confirmed by the NH3-TPD analysis. The SAPO-34 catalyst
   shows 93.4% conversion to ethyl levulinate via esterification of levulinic
   acid with ethanol just within 20 min at 190 °C under non-microwave instant
   heating, which is considered very fast as compared to other systems. In
   addition, high catalyst recyclability is observed even after fifth cycle of
   reaction, thus offering another promising pathway for crystallizing zeolites
   using this new class of template that are beneficial for catalytic biofuel
   upgrading process.
   
   0
   Citations
 * Article  •  Open access
   ZIF-8-derived ZnO/C decorated hydroxyl-functionalized multi-walled carbon
   nanotubes as a new composite electrode for supercapacitor application
   Otun, K.O., Xaba, M.S., Zong, S., ...Alotaibi, M.T., El-Bahy, Z.M.
   Colloids and Interface Science Communications, 2022, 47, 100589
   Show abstract
   Related documents
   Due to the poor conductivity of metal-organic frameworks (MOFs), it is
   challenging to directly employ MOFs as electrode materials for
   supercapacitors. Herein, hydroxyl-functionalized multi-walled carbon nanotube
   (f-MWCNT) was used to decorate ZnO/C obtained from the prior calcination of
   pristine zeolitic imidazolate framework-8 (ZIF-8) and applied as electrode
   material for supercapacitor application. The resulting ZnO/C@f-MWCNT
   electrode exhibits excellent storage performance, as confirmed by the
   specific capacitance of 650 F/g at 1 A/g and a superior energy/power density
   compared to the single electrode. Additionally, the composite electrode
   displayed remarkable cycling stability of 70% after 5000 cycles and retained
   75% of its initial capacitance at 10 A/g, demonstrating good rate
   cyclability. The exceptional performance of ZnO/C@f-MWCNT was attributed to
   the synergistic effects offered by f-MWCNT which improved its electrical
   conductivity and ZnO/C that provided sufficient redox-active sites and
   structural stability. This work may promote the design of advanced MOF-based
   nanocomposites for energy storage application.
   
   0
   Citations
 * Article
   A n-butanol gas sensor with enhanced gas sensing performance based on
   Co-doped BiVO4 polyhedrons
   Guo, W., Shuai, Y., Liu, X., ...El-Bahy, Z.M., Mubarak, N.M.
   Sensors and Actuators B: Chemicalthis link is disabled, 2022, 354, 131221
   Show abstract
   Related documents
   N-butanol, a poisonous and flammable liquid, has great threat to human life
   and property security, which is of importance to monitor n-butanol in the
   environment. In this paper, the pure and Co-doped BiVO4 polyhedrons are
   successfully synthesized by hydrothermal method. A series of
   characterizations, such as XRD, XPS, SEM, UV, and EIS, etc., are used to
   analyze the crystal structure, morphology, element compositions, optical and
   electrochemical properties of the as-prepared samples. The optimal sample
   (3Co-BiVO4) exhibits high gas response (51.65) toward 100 ppm n-butanol,
   which is around four times higher than that of pure BiVO4 at 300 °C. In
   addition, the 3Co-BiVO4 also has fast response-recovery time, good humidity
   resistance, favorable selectivity to n-butanol, etc. Based on the above
   characterizations and gas sensing test results, the enhanced gas sensing
   mechanism for 3Co-BiVO4 is proposed. This work provides a feasible strategy
   to fabricate BiVO4 polyhedron by doping Co to greatly enhance the gas sensing
   properties for n-butanol.
   
   0
   Citations
 * Article
   Biodiesel synthesis from Prunus bokhariensis non-edible seed oil by using
   green silver oxide nanocatalyst
   Dawood, S., Ahmad, M., Zafar, M., ...El-Bahy, Z.M., Khoo, K.S.
   Chemospherethis link is disabled, 2022, 291, 132780
   Show abstract
   Related documents
   The present work investigates the proficiency of green silver oxide
   nanocatalyst synthesised from Monotheca buxifolia (Falc.) Dcne. leaves
   extract, and their application for biodiesel synthesis from novel Prunus
   bokhariensis seed oil (non-edible). The seed oil content of 55% and FFA
   content of 0.80 mg KOH/g were reported. Several analytical tools (EDX, FT-IR,
   SEM and XRD) were used to characterise the Ag2O nanocatalyst. Maximum (89%)
   FAME yield of the PBSOB (Prunus bokhariensis seed oil biodiesel) was achieved
   at ambient transesterification conditions i.e. 3.5 wt% nanocatalyst loading,
   2.5 h reaction time, 130 °C of reaction temperature and 12:1 alcohol to oil
   ratio. The synthesised PBSOB was additionally characterised by analytical
   methods like, GC-MS and FT-IR. The different aspects of fuel were identified
   i.e. flash point (84 °C), kinematic viscosity (4.01 cSt @ 40 °C), sulphur
   content (0.0003 wt %), density (0.853 kg/L) and acid number (0.167 mg KOH/g).
   All the above properties were verified and agreed well with biodiesel
   international standards (European Union (14214), China GB/T (20828) and ASTM
   (6751, 951). In general, Prunus bokhariensis seed oil and Ag2O nanocatalyst
   seem to be remarkably active, cheap and stable candidates for the biodiesel
   industry in future.
   
   1
   Citations
 * Article
   Double linker MOF-derived NiO and NiO/Ni supercapacitor electrodes for
   enhanced energy storage
   Otun, K.O., Xaba, M.S., Zong, S., ...El-Bahy, S.M., El-Bahy, Z.M.
   Colloids and Surfaces A: Physicochemical and Engineering Aspectsthis link is
   disabled, 2022, 634, 128019
   Show abstract
   Related documents
   Metal-organic frameworks (MOFs)-derived nanomaterials have emerged as novel
   electrodes for electrochemical energy storage application. Herein,
   MOF-derived NiO and NiO/Ni composite electrodes have been successfully
   synthesized by a unique double-linker MOF-strategy involving a series of
   calcination procedures (400 °C, 500 °C and 600 °C). The introduction of
   calcination temperature influenced both the textural and electrochemical
   properties of the MOF-derived NiO/Ni-400 and NiO/Ni-500 composite electrodes
   obtained at 400 °C and 500 °C respectively, as well as the NiO-600 electrode
   produced at 600 °C. With the combined benefits of improved uniform pore-size
   distribution and electrical conductivity, the composite electrodes delivered
   an enhanced supercapacitor performance with specific capacitances of 104.6
   mAg−1 (NiO/Ni-400) and 37.4 mAg−1 (NiO/Ni-500) compared with 28.5 mAg−1 for
   the NiO-600 electrode at the same current density. Interestingly, NiO/Ni
   retained about 90% of its original capacitance after 1000 cycles when
   measured in 3 M KOH electrolyte solution. Furthermore, the electrochemical
   kinetic analysis used to probe the energy storage mechanism revealed
   pseudocapacitive behaviors at all tested scan rates; with NiO/Ni contributing
   67% of the total capacitance at a scan rate of 5 mV/s which increased to 87%
   at 100 mV/s. The results obtained confirm that the approach described in this
   study is promising for the design of MOF-based electrodes for energy storage
   applications.
   
   1
   Citations
 * Article
   Ruthenium-Doping-Induced Amorphization of VS4Nanostructures with a Rich
   Sulfur Vacancy for Enhanced Hydrogen Evolution Reaction in a Neutral
   Electrolyte Medium
   Karmakar, A., Sankar, S.S., Kumaravel, S., ...El-Bahy, Z.M., Kundu, S.
   Inorganic Chemistrythis link is disabled, 2022, 61(3), pp. 1685–1696
   Show abstract
   Related documents
   The generation of pure H2 from a neutral electrolyte solution represents a
   transformative route with low cost and environmentally friendly nature.
   However, the complex kinetics of hydrogen evolution reaction (HER) via water
   electrolysis make its practical application to be difficult. Herein, we have
   reported Ru-doping-induced formation of VS4 nanostructures with a rich S
   vacancy for neutral HER in a 0.2 M phosphate buffer solution. The Ru-doped
   VS4 demands an overpotential value of 160 mV at 10 mA/cm2 current density
   with a lower catalyst loading of 0.1 mg/cm2, while pristine VS4 demands a 374
   mV overpotential with the same mass loading. 60 hours of chronoamperometric
   study reveals the excellent stability of Ru-doped VS4 materials, which is the
   highest amount of time ever reported for neutral HER. The marginal
   degradation of a catalyst under a long-term stability study was confirmed
   through inductively coupled plasma mass spectrometry (ICP-MS) analysis. The
   introduction of Ru to the VS4 lattice leads to a 4.35-fold increase in the
   turnover-frequency values compared to those of bare VS4 nanostructures. The
   higher HER activity of S-vacancy-enriched VS4 materials is thought to
   originate through effective water adsorption in S vacancy and Ru3+ sites
   followed by the dissociation of a H2O molecule, and S22- efficiently converts
   Had to H2. Also, post-HER characterization reveals that the transformation of
   some Ru3+ to Ru0 additionally favored the HER by providing a better H
   adsorption site under a static cathodic potential.
   
   0
   Citations

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