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Photoelectron Spectroscopy and Theoretical Study of CrnSi15-n- (n=1-3): Effects of Doping Cr Atoms on the Structural and Magnetic Properties 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2018, 卷号: 122, 期号: 51, 页码: 9886-9893
Authors:  Yang, Bin;  Xu, Hongguang;  Xu, Xiling;  Zheng, Weijun
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Reaction Mechanisms of Well-Defined Metal-N-4 Sites in Electrocatalytic CO2 Reduction 期刊论文
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2018, 卷号: 57, 期号: 50, 页码: 16339-16342
Authors:  Zhang, Zheng;  Xiao, Jianping;  Chen, Xue-Jiao;  Yu, Song;  Yu, Liang;  Si, Rui;  Wang, Yong;  Wang, Suheng;  Meng, Xianguang;  Wang, Ye;  Tian, Zhong-Qun;  Deng, Dehui
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cobalt  density-functional calculations  electrochemistry  reaction mechanisms  reduction  
Why the lowest electronic excitations of rhodamines are overestimated by time-dependent density functional theory 期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2018, 卷号: 118, 期号: 23, 页码: 11
Authors:  Zhou, Panwang
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ADC(2)  cyanine dyes  rhodamine dyes  TDDFT  XMCQDPT2  
Methanol to Olefins Reaction over Cavity-type Zeolite: Cavity Controls the Critical Intermediates and Product Selectivity 期刊论文
ACS CATALYSIS, 2018, 卷号: 8, 期号: 12, 页码: 10950-10963
Authors:  Zhang, Wenna;  Chen, Jingrun;  Xu, Shutao;  Chu, Yueying;  Wei, Yingxu;  Zhi, Yuchun;  Huang, Jindou;  Zheng, Anmin;  Wu, Xinqiang;  Meng, Xiangju;  Xiao, Fengshou;  Deng, Feng;  Liu, Zhongmin
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methanol to olefins  H-RUB-SO  critical intermediates  product selectivity  host guest interaction  cavity-control  
Theoretical study of charge-transport and optical properties of indeno[1,2-b] fluorene-6,12-dione-based semiconducting materials 期刊论文
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 2018, 卷号: 74, 页码: 705-711
Authors:  Huang, Jin-Dou;  Zhao, Jinfeng;  Yu, Kun;  Huang, Xiaohua;  Cheng, Shi-Bo;  Ma, Huipeng
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indeno[1,2-b] fluorene-6,12-dione-based molecules  intrinsic hole mobility  intrinsic electron mobility  electronic spectra  density functional theory (DFT)  structure-function relationship  
Vapor-fumigation for record efficiency two-dimensional perovskite solar cells with superior stability 期刊论文
ENERGY & ENVIRONMENTAL SCIENCE, 2018, 卷号: 11, 期号: 12, 页码: 3349-3357
Authors:  Zhu, Xuejie;  Xu, Zhuo;  Zuo, Shengnan;  Feng, Jiangshan;  Wang, Ziyu;  Zhang, Xiaorong;  Zhao, Kui;  Zhang, Jian;  Liu, Hairui;  Priya, Shashank;  Liu, Shengzhong Frank;  Yang, Dong
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Structural evolution and bonding properties of BSin-/0 (n=4-12) clusters: Size-selected anion photoelectron spectroscopy and theoretical calculations 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2018, 卷号: 149, 期号: 17, 页码: 11
Authors:  Lu, Sheng-Jie;  Xu, Xi-Ling;  Cao, Guo-Jin;  Xu, Hong-Guang;  Zhen, Wei-Jun
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Photoelectron velocity map imaging spectroscopic and theoretical study of heteronuclear vanadium-nickel carbonyl anions VNi(CO)(n)(-) (n=2-6) 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2018, 卷号: 149, 期号: 14, 页码: 6
Authors:  Yuan, Qinqin;  Zhang, Jumei;  Zou, Jinghan;  Fan, Hongjun;  Jiang, Ling;  Xie, Hua
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Structural and bonding properties of BS-/0 and BS3-/0 期刊论文
NEW JOURNAL OF CHEMISTRY, 2018, 卷号: 42, 期号: 19, 页码: 16021-16026
Authors:  Zhao, Li-Juan;  Xu, Xi-Ling;  Xu, Hong-Guang;  Feng, Gang;  Zheng, Wei-Jun
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Structural and electronic optimization of graphene encapsulating binary metal for highly efficient water oxidation 期刊论文
NANO ENERGY, 2018, 卷号: 52, 页码: 494-500
Authors:  Tu, Yunchuan;  Ren, Pengju;  Deng, Dehui;  Bao, Xinhe
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Water electrolysis  Graphene  Non-precious metal  Oxygen evolution reaction