Keywords: مرکز D-Band; CoFe(O) catalyst; Oxygen evolution reaction; Dynamic mechanism; d-band center;
مقالات ISI مرکز D-Band (ترجمه نشده)
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Keywords: مرکز D-Band; Computational screening approach; d-band center; OER activity volcano; ORR activity volcano;
Silver cluster supported on nitrogen-doped graphene as an electrocatalyst with high activity and stability for oxygen reduction reaction
Keywords: مرکز D-Band; Nitrogen-doped graphene; Ag8 cluster; Oxygen reduction reaction; d-Band center; Bader charge analysis;
Keywords: مرکز D-Band; First-principle DFT; Defective hexagonal boron nitrogen nanosheet; Iron nanoparticle; Density of state; d-Band center;
An active nanoporous Ni(Fe) OER electrocatalyst via selective dissolution of Cd in alkaline media
Keywords: مرکز D-Band; Oxygen evolution reaction; Nanoporous; NiFe; Cd; d-Band center;
Boosting fuel cell catalysis by surface doping of W on Pd nanocubes
Keywords: مرکز D-Band; Pd-based electrocatalyst; Surface-doping process; Oxygen reduction reaction; Ethanol oxidation reaction; d-band center;
Controlling phenolic hydrodeoxygenation by tailoring metal-O bond strength via specific catalyst metal type and particle size selection
Keywords: مرکز D-Band; Hydrodeoxygenation; Phenolic compounds; Reaction mechanism; DFT; Micropulse reactor; Oxophilicity; d-Band center; Metal particle size;
PdCu nanoalloy immobilized in ZIF-derived N-doped carbon/graphene nanosheets: Alloying effect on catalysis
Keywords: مرکز D-Band; Chromium; Palladium-copper alloy; Formic acid; Catalysis; DFT calculation; D-band center;
Research paperHighly active and selective Au thin layer on Cu polycrystalline surface prepared by galvanic displacement for the electrochemical reduction of CO2 to CO
Keywords: مرکز D-Band; CO2 reduction; Au thin layer on Cu; Electronic structure; Charge transfer; D-band center; CO selectivity;
A density functional theory study on the carbon chain growth of ethanol formation on Cu-Co (111) and (211) surfaces
Keywords: مرکز D-Band; Carbon chain growth; Cu-Co (111) and (211) surface; PDOS; d-Band center; Density functional theory;
Theoretical insight into the structural and electronic properties of Ru13@Pt42-nMon (n = 0-18) trimetallic nanoclusters
Keywords: مرکز D-Band; Ru13@Pt42-nMon nanoclusters; Density functional theory; Dissolution resistance; d-band center; Coordination number;
Carbon supported Pd-based bimetallic and trimetallic catalyst for formic acid electrochemical oxidation
Keywords: مرکز D-Band; Pd-based bimetallic and trimetallic alloys; XPS; d-Band center; XRD; Formic acid electrochemical oxidation
Tailoring the substitution on the surface of Fe13/Pt42 core-shell nanoparticles by Au atoms
Keywords: مرکز D-Band; Ternary nanoparticles; Density functional theory; Magnetic moment; d-Band center;
Formation, stability of bimetallic Ni-alloyed Cu(1Â 1Â 0) surface and their interaction with small molecules
Keywords: مرکز D-Band; Surface alloy; Density functional theory; d-band center; Adsorption energy;
Selective electro-oxidation of glycerol over Au supported on extended poly(4-vinylpyridine) functionalized graphene
Keywords: مرکز D-Band; Glycerol oxidation; Selectivity; d-Band center; Gold nanoparticle; Graphene
Insight into the structural and electronic properties of Pd55ânNin (n = 0-55) clusters: A density functional theory study
Keywords: مرکز D-Band; Pd55ânNin clusters; Density functional theory; Structural properties; d-band center;
Composition regulation of bimetallic RuPd catalysts supported on porous alumina spheres for selective hydrogenation
Keywords: مرکز D-Band; Heterogeneous bimetallic catalyst; Selective hydrogenation; Synergetic effect; d-Band center; Dimethyl cyclohexane-1,4-dicarboxylate;
Density functional theory studies of electronic properties of PdAg/Pd surface alloys
Keywords: مرکز D-Band; Density function theory; Pd-Ag bimetallic catalyst; Surface alloy; d-Band center; Electronic properties; Catalyst morphology;
In situ X-ray absorption spectroscopy on probing the enhanced electrochemical activity of ternary PtRu@Pb catalysts
Keywords: مرکز D-Band; In situ X-ray absorption spectroscopy; Ternary Pt-based alloys; Ligand effect; Bi-functional mechanism; d-Band center
Trends in the catalytic reduction of CO2 by hydrogen over supported monometallic and bimetallic catalysts
Keywords: مرکز D-Band; CO2 conversion; Bimetallic catalysts; Oxide supports; d-Band center
A theoretical study of CO adsorption on FeCo(100) and the effect of alloying
Keywords: مرکز D-Band; FeCo alloys; Density functional theory; CO adsorption energy; d-band center;
First-principles calculations on the role of Ni-doping in Cun clusters: From geometric and electronic structures to chemical activities towards CO2
Keywords: مرکز D-Band; First-principles calculation; Electronic structure; Bimetallic cluster; d-Band center; Chemical activity towards CO2
Comparison of H2 production from ethanol and ethylene glycol on M/Pt(1 1 1) (M = Ni, Fe, Ti) bimetallic surfaces
Keywords: مرکز D-Band; Pt(1 1 1); Ni; Fe; Ti; Ethylene glycol; Ethanol; Bimetallic surface; TPD; H2 production; d-Band center
Characterization of methanethiolate on some transition metals: A first-principle density functional theory study
Keywords: مرکز D-Band; CH3S chemisorption; DFT calculation; Slab model; Adsorption energy; D-band center;
A general scheme for the estimation of oxygen binding energies on binary transition metal surface alloys
Keywords: مرکز D-Band; Density functional theory; Oxygen; Binding energy; d-Band center; Surface alloy; Transition metal;