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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 2022 at "ACS applied materials & interfaces"
DOI: 10.1021/acsami.2c04033
Abstract: Strained platinum-based materials with high performance have been regarded as the most promising electrocatalysts for proton exchange membrane fuel cells (PEMFCs) recently. Herein, self-strained platinum clusters with finite size (about 1 nm) are prepared by…
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Keywords:
strained platinum;
self strained;
size;
platinum ... See more keywords
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Published in 2022 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.2c05386
Abstract: Catalysts composed of platinum dispersed on zeolite supports are widely applied in industry, and coking and sintering of platinum during operation under reactive conditions require their oxidative regeneration, with the platinum cycling between clusters and…
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Keywords:
zeolite zsm;
gem dicarbonyls;
platinum gem;
platinum ... See more keywords