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中国科学院大连化学物理研究所机构知识库
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Boosting the rate capability of multichannel porous TiO2 nanofibers with well-dispersed Cu nanodots and Cu2+-doping derived oxygen vacancies for sodium-ion batteries
期刊论文
NANO RESEARCH, 2019, 卷号: 12, 期号: 9, 页码: 2211-2217
Authors:
Wu, Ying
;
Wei, Zengxi
;
Xu, Rui
;
Gong, Yue
;
Gu, Lin
;
Ma, Jianmin
;
Yu, Yan
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View/Download:1/0
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Submit date:2019/12/02
multichannel porous TiO2 nanofibers
Cu nanodots
Cu2+ doping
sodium ion batteries
density functional theory (DFT) calculations
Chabazite Architecture Dominates the Structure of SAPO-34's Surface Methoxy Species
期刊论文
CATALYSIS LETTERS, 2019, 卷号: 149, 期号: 8, 页码: 2104-2109
Authors:
Zang, Kailu
;
Zhang, Wenna
;
Huang, Jindou
;
Feng, Pei
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Submit date:2019/07/26
Zeolites
Reaction intermediates
Density functional theory
Methanol-to-olefins
SAPO-34
Surface methoxy species
Chabazite architecture
Steric hindrance
Origin of enhanced stability in thiocyanate substituted -FAPbI(3) analogues
期刊论文
SCIENCE CHINA-CHEMISTRY, 2019, 卷号: 62, 期号: 7, 页码: 866-874
Authors:
Xu, Zhuo
;
Chen, Ming
;
Liu, Shengzhong (Frank)
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Submit date:2019/12/02
thiocyanate
stability
formamidinium perovskites
density-functional theory
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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Submit date:2019/06/20
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
Glutathione sensing mechanism of a fluorescent probe: Excited state intramolecular proton transfer and photoinduced electron transfer
期刊论文
JOURNAL OF LUMINESCENCE, 2018, 卷号: 204, 页码: 642-648
Authors:
Li, Yang
;
Zhao, Jin-Feng
;
Chu, Tian-Shu
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Submit date:2019/06/20
Fluorescent probe
Density functional theory
Excited state intramolecular proton transfer
Photoinduced electron transfer
Intramolecular charge transfer
A binding model study on TNP fluorescent sensor 4,40-(9,9 dimethylfluorene-2,7-diy1)dibenzoic acid
期刊论文
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, 2018, 卷号: 367, 页码: 282-289
Authors:
Ma, Yinhua
;
Zhao, Jinfeng
;
Liu, Jianyong
;
Yang, Yanqiang
;
Chu, Tianshu
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Submit date:2019/06/20
Binding model
Time-dependent density functional theory
Weak interactions
TNP sensing
Photoinduced electron transfer
Binding energy
Mechanism and transfer behavior of ions in Nafion membranes under alkaline media
期刊论文
JOURNAL OF MEMBRANE SCIENCE, 2018, 卷号: 566, 页码: 8-14
Authors:
Hu, Jing
;
Zhang, Huamin
;
Xu, Wenbin
;
Yuan, Zhizhang
;
Li, Xianfeng
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Submit date:2019/06/20
Nafion membrane
Ion transfer mechanism
Density functional theory-based simulation
Zinc iron flow battery
A systematic theoretical study on FeOx-supported single-atom catalysts: M-1/FeOx for CO oxidation
期刊论文
NANO RESEARCH, 2018, 卷号: 11, 期号: 3, 页码: 1599-1611
Authors:
Liang, Jinxia
;
Yu, Qi
;
Yang, Xiaofeng
;
Zhang, Tao
;
Li, Jun
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Submit date:2019/06/20
Single-atom Catalyst
M-1/feox
Density Functional Theory
Heterogeneous Catalysis
Pd-Containing Nanostructures for Electrochemical CO2 Reduction Reaction
期刊论文
ACS CATALYSIS, 2018, 卷号: 8, 期号: 2, 页码: 1510-1519
Authors:
Gao, Dunfeng
;
Zhou, Hu
;
Cai, Fan
;
Wang, Jianguo
;
Wang, Guoxiong
;
Bao, Xinhe
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Submit date:2019/06/20
Electrochemical Co2 Reduction Reaction
Pd-containing Nanostructures
Active Site
Active Phase Transformation
Bimetallic Catalysts
Electrochemical Promotion Of Catalysis
Coupled Thermo- And Electrocatalysis
Density Functional Theory Calculations
Diverse carrier mobility of monolayer BNCx: a combined density functional theory and Boltzmann transport theory study
期刊论文
Journal of Physics: Condensed Matter, 2017, 卷号: 29, 期号: 45
Authors:
Wu,Tao
;
Deng,Kaiming
;
Deng,Weiqiao
;
Lu,Ruifeng
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View/Download:1/0
  |  
Submit date:2019/06/20
BNCx
carrier mobility
density functional theory
Boltzmann transport theory
nanoelectronics