Effect of Atomic Vacancies on the Structure and the Electrocatalytic Activity of Pt‐rich/C Nanoparticles: A Combined Experimental and Density Functional Theory Study
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DOI: 10.1002/cctc.201601672
Abstract: We present a joint experimental and density functional theory (DFT) study on the effect of atomic vacancies on the restructuring of platinum—transition metal alloy nanocatalysts and the associated changes in electrocatalytic activity. Atomic vacancies were… read more here.
Keywords: density functional; functional theory; effect; effect atomic ... See more keywords
Robust magnetic behavior in two-dimensional GaN caused by atomic vacancies
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DOI: 10.1007/s10853-020-05395-8
Abstract: Point defect introduction is an important method for inducing robust unconventional magnetic behaviors. Here, we studied the effects of atomic vacancies, including Ga (VGa) and N vacancies (VN), on the magnetic properties of two-dimensional (2D)… read more here.
Keywords: planar; vga ratio; atomic vacancies; two dimensional ... See more keywords
Investigating molecular orbitals with submolecular precision on pristine sites and single atomic vacancies of monolayer h-BN
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DOI: 10.1007/s12274-020-2842-5
Abstract: Understanding the influence of adsorption sites to the electronic properties of adsorbed molecules on two-dimensional (2D) ultrathin insulator is of essential importance for future organic-inorganic hybrid nanodevices. Here, the adsorption and electronic states of manganese… read more here.
Keywords: molecular orbitals; investigating molecular; orbitals submolecular; single atomic ... See more keywords
Exchange and Dzyaloshinskii-Moriya interactions in bulk FeGe: Effects of atomic vacancies
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DOI: 10.1063/1.4973847
Abstract: We examine the effects of atomic vacancies on the (1) spin interaction, and (2) electronic character in the cubic B20 chiral magnet FeGe. For the former, Heisenberg exchange and Dzyaloshinskii-Moriya (DM) interactions are studied. The… read more here.
Keywords: bulk fege; exchange dzyaloshinskii; moriya interactions; dzyaloshinskii moriya ... See more keywords
Generation and accumulation of atomic vacancies due to dislocation movement and pair annihilation
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DOI: 10.1080/14786435.2018.1478142
Abstract: ABSTRACT Generation and accumulation of atomic vacancy due to pair annihilation of edge dislocations during plastic slip deformation of metallic materials are numerically evaluated by crystal plasticity analysis. Dislocation density-based models are utilised in the… read more here.
Keywords: generation accumulation; pair annihilation; generation; accumulation atomic ... See more keywords