1 article(s) from Qin, Gangqiang
(a) Adsorption energy of CO2 and H2O on various single transition metal (TM) doped BN monolayers. (...
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The most stable, optimized configurations of CO2 (a) and H2O (b) adsorption on Mo-doped BN monolaye...
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The profile of the Gibbs free energy. A standardized isolated CO2 molecule and a clean Mo-doped BN ...
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Optimized geometric configurations of the various intermediates with the lowest energy in each step...
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(a) Top and side view of three moieties divided with *OCHO. (b) Charge variation of the three moiet...
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Beilstein J. Nanotechnol. 2019, 10, 540–548, doi:10.3762/bjnano.10.55
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