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Atom Adsorption sentence examples within density functional theory



Behaviour of induced states of substitutional and adatom impurity doping on electronic transport properties of single-layer black phosphorus



Point defects in two-dimensional BeO monolayer: a first-principles study on electronic and magnetic properties.


Atom Adsorption sentence examples within H Atom Adsorption



Inelastic Scattering of H Atoms from Surfaces



Effects of A-site composition of perovskite (Sr1−xBaxZrO3) oxides on H atom adsorption, migration, and reaction


Atom Adsorption sentence examples within Hydrogen Atom Adsorption



A Setaria-inflorescence-structured catalyst based on nickel–cobalt wrapped silver nanowire conductive networks for highly efficient hydrogen evolution



Band Gap Opening in 8-Pmmn Borophene by Hydrogenation




Atom Adsorption sentence examples within Metal Atom Adsorption



Mechanism of transition metal interaction with graphene sheet reflected in its plasmonic excitations: Effect of gas adsorption phenomena studied by a combination of solid state and molecular orbital approaches



Engineering of the electronic structure of Fe-adsorbed black phosphorus monolayer by strain


Atom Adsorption sentence examples within Fluorine Atom Adsorption



Adsorption-site-dependent magnetic and electronic properties for single- or double-fluorine-atom adsorbed boron nitride nanotubes and their possible applications in spin filters



Influence of fluorine and oxygen atom adsorption on electronic structure of InSb(111) surface


Atom Adsorption sentence examples within Li Atom Adsorption



Triggering the phase transition and capacity enhancement of Nb2O5 for fast-charging lithium-ion storage



Edge effects on Li atom adsorption and migration of MoS2 zigzag nanoribbons


Atom Adsorption sentence examples within atom adsorption energy



COx-free hydrogen production from ammonia – mimicking the activity of Ru catalysts with unsupported Co-Re alloys



Triggering the phase transition and capacity enhancement of Nb2O5 for fast-charging lithium-ion storage



Engineering the ligand states by surface functionalization: a new way to enhance the ferromagnetism of CrI3.


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10.1016/J.JELECHEM.2021.115640

Porous CeO2/Ni-Cu composite catalyst for electrocatalytic hydrogen evolution in alkaline medium



First-principles calculations to investigate the effects of strain, electric field, and atom impurity on the electronic and magnetic properties of RuX2 (X = S, Se) nanosheets.



Theoretical Mapping of Interaction between Alkali Metal Atoms Adsorbed on Graphene‐Like BC 3 Monolayer


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10.1016/j.apcatb.2020.119405

COx-free hydrogen production from ammonia – mimicking the activity of Ru catalysts with unsupported Co-Re alloys


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10.1007/s10853-021-06524-7

High uptake and fixation ability of BC monolayer for CO and NO toxic gases: a computational analysis


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10.1016/j.apcatb.2020.119866

Energy parameter and electronic descriptor for carbon based catalyst predicted using QM/ML



Theoretical prediction by DFT and experimental observation of heterocation-doping effects on hydrogen adsorption and migration over the CeO2(111) surface.


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