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Published in 2020 at "Structural Chemistry"
DOI: 10.1007/s11224-020-01679-6
Abstract: Applying a theoretical approach that combines an efficient and fast global optimization based on genetic algorithms (GA) to search in structure space and the parameterized density-functional tight-binding (DFTB) method for the calculation of the energy…
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Keywords:
structural energetic;
theoretical study;
properties platinum;
study structural ... See more keywords
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Published in 2021 at "Materials Chemistry Frontiers"
DOI: 10.1039/d1qm01136g
Abstract: The electrocatalytic properties of alloy could be effectually controlled by adjusting their inherent physical and chemical performance (compositions, lattice strain, facets, etc.) to provide the better surface structure and compositions...
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Keywords:
alloy;
properties platinum;
multiple intrinsic;
intrinsic properties ... See more keywords