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Yingqi Cui

As seen in: Royal Society of Chemistry
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Articles

Strain-Induced Antiferroelectric–Ferroelectric–Antiferroelectric Phase Transitions in Epitaxial LaTaO4 Films

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By Yingqi Cui, Yiming Liu, Guifang Li, Jiayi Zhang
| dx.doi.org
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Theoretical investigations on the structures, electronic and optical properties of neutral and anionic M2-doped B24 clusters (M=Li, Na, K)

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By Chenggang Li, Yingqi Cui, Zigang Shen, Qinqin Shao
| Royal Society of Chemistry Verified
Theoretical investigations on the structures, electronic and optical properties of neutral and anionic M2-doped B24 clusters (M=Li, Na, K) Chenggang Li, Yingqi Cui, Tian Hao, Zigang Shen, Qinqin Shao, Yanli Ding and Bao-Zeng Ren Abstract This paper reports a theoretical study on the structures, electronic and optical properties of M2B240/− (M=Li, Na, K) clusters using the particle swarm optimization (CALYPSO) searching method and density functional theory (DFT) calculations.
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Nitrogen and Boron coordinated single-atom catalysts for Low-temperature CO/NO oxidations

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By Yanan Tang, Zhiwen Wang, Yi Li, Yingqi Cui
| Royal Society of Chemistry Verified
Nitrogen and Boron coordinated single-atom catalysts for Low-temperature CO/NO oxidations In order to explore the intrinsic properties of single-atom (SA) catalysts, the different coordinated atoms (typically Bx and Ny, x + y =1 ~ 3) within graphene (BxNy-graphene) can be used to regulate the stability and electronic structure of central metal atoms by density functional theory (DFT) calculations.
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