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Electrochemical hydrogen evolution on Pt-based catalysts from a theoretical perspective
Author: Zhang, Ke-Xiang; Liu, Zhi-Pan
Journal: JOURNAL OF CHEMICAL PHYSICS. 2023; Vol. 158, Issue 14, pp. -. DOI: 10.1063/5.0142540
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NAl4X4+ (X = S, Se, Te): Clusters with a planar tetracoordinate nitrogen and significantly improved stability
Author: Sun, Rui; Yuan, Caixia; Zhai, Hua-Jin; Wu, Yan-Bo
Journal: JOURNAL OF CHEMICAL PHYSICS. 2023; Vol. 158, Issue 14, pp. -. DOI: 10.1063/5.0143021
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Spectroscopic snapshot for neutral water nonamer (H2O)(9): Adding a H2O onto a hydrogen bond-unbroken edge of (H2O)(8)
Author: Zheng, Huijun; Zhang, Yang-Yang; Wang, Tiantong; Jiang, Shuai; Yan, Wenhui; Wang, Chong; Zhao, Ya; Hu, Han-Shi; Yang, Jiayue; Zhang, Weiqing; Wu, Guorong; Dai, Dongxu; Li, Gang; Li, Jun; Yang, Xueming; Jiang, Ling
Journal: JOURNAL OF CHEMICAL PHYSICS. 2023; Vol. 158, Issue 1, pp. -. DOI: 10.1063/5.0131217
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Hierarchical equations of motion approach for accurate characterization of spin excitations in quantum impurity systems
Author: Zhang, Daochi; Zuo, Lijun; Ye, Lyuzhou; Chen, Zi-Hao; Wang, Yao; Xu, Rui-Xue; Zheng, Xiao; Yan, YiJing
Journal: JOURNAL OF CHEMICAL PHYSICS. 2023; Vol. 158, Issue 1, pp. -. DOI: 10.1063/5.0131739
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Thermoelectric transport properties of orthorhombic RbBaX (X = Sb, Bi) with strong anharmonicity
Author: Song, Xuhao; Zhao, Yinchang; He, Min; Ni, Jun; Meng, Sheng; Dai, Zhenhong
Journal: JOURNAL OF CHEMICAL PHYSICS. 2023; Vol. 158, Issue 1, pp. -. DOI: 10.1063/5.0135207
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Diameter-dependent ultrafast lithium-ion transport in carbon nanotubes
Author: Fu, Zhong-Heng; Chen, Xiang; Yao, Nan; Yu, Le-Geng; Shen, Xin; Shi, Shaochen; Zhang, Rui; Sha, Zhengju; Feng, Shuai; Xia, Yu; Zhang, Qiang
Journal: JOURNAL OF CHEMICAL PHYSICS. 2023; Vol. 158, Issue 1, pp. -. DOI: 10.1063/5.0131408
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Single atom alloy clusters Agn-1X- (X = Cu, Au; n=7-20) reacting with O-2: Symmetry-adapted orbital model
Author: Du, Qiuying; Huang, Lulu; Fu, Jiaqi; Cao, Yongjun; Xing, Xiaopeng; Zhao, Jijun
Journal: JOURNAL OF CHEMICAL PHYSICS. 2023; Vol. 158, Issue 1, pp. -. DOI: 10.1063/5.0124095
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Structural, mechanical, and electronic properties of Ni-Co-based layered transition metal oxide LiNixCo1-xO2 for Li-ion batteries from first principles
Author: Qin, Wenjing; Liu, Sanqiu; Zhong, Shuying; Xu, Bo
Journal: JOURNAL OF CHEMICAL PHYSICS. 2023; Vol. 158, Issue 14, pp. -. DOI: 10.1063/5.0142614
