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中国科学院重庆绿色智能技术研究院机构知识库
KMS Chongqing Institute of Green and Intelligent Technology, CAS
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Binary alloys for electrocatalytic CO2 conversion to hydrocarbons and alcohols
期刊论文
APPLIED SURFACE SCIENCE, 2023, 卷号: 635, 页码: 9
作者:
Su, Dai-Jian
;
Xiang, Shi-Qin
;
Jiang, Yimin
;
Liu, Xiaohong
;
Zhang, Wei
;
Zhao, Liu-Bin
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浏览/下载:12/0
  |  
提交时间:2023/12/25
CO2 reduction reaction
Electrocatalysts
Reaction kinetics
Catalytic selectivity
Density functional theory
Regulating dynamic equilibrium of active hydrogen for super-efficient nitrate electroreduction to ammonia
期刊论文
CHEMICAL ENGINEERING JOURNAL, 2023, 卷号: 474, 页码: 10
作者:
Gao, Yang
;
Wang, Rong
;
Li, Yudong
;
Han, Enshan
;
Song, Maosen
;
Yang, Ziyi
;
Guo, Feng
;
He, Yanzhen
;
Yang, Xiaohui
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浏览/下载:17/0
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提交时间:2023/12/25
Electrocatalytic nitrate reduction
Ammonia synthesis
Cobalt-based catalysts
Density functional theory
Dynamic equilibrium of active hydrogen
A Theoretical Design of Chiral Molecules through Conformational Lock towards Circularly Polarized Luminescence
期刊论文
PHOTONICS, 2022, 卷号: 9, 期号: 8, 页码: 10
作者:
Wang, Lewen
;
He, Tengfei
;
Liao, Hailiang
;
Luo, Yige
;
Ou, Wen
;
Yu, Yinye
;
Yue, Wan
;
Long, Guankui
;
Wei, Xingzhan
;
Zhou, Yecheng
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浏览/下载:42/0
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提交时间:2022/10/14
circularly polarized luminescence
chirality transformation
light emission
conformation lock
density functional theory
Enhanced nitrate reduction reaction via efficient intermediate nitrite conversion on tunable CuxNiy/NC electrocatalysts
期刊论文
JOURNAL OF HAZARDOUS MATERIALS, 2022, 卷号: 421, 页码: 9
作者:
Fang, Ling
;
Wang, Sha
;
Song, Cheng
;
Yang, Xiaohui
;
Li, Yuke
;
Liu, Hong
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浏览/下载:196/0
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提交时间:2021/11/26
Nitrate reduction reaction
Copper-nickel alloy
Density functional theory
Nitrite conversion
Mechanism
Thermodynamic and Kinetic Competition between C-H and O-H Bond Formation Pathways during Electrochemical Reduction of CO on Copper Electrodes
期刊论文
ACS CATALYSIS, 2021, 卷号: 11, 期号: 4, 页码: 2422-2434
作者:
Xiang, Shi-Qin
;
Shi, Jun-Lin
;
Gao, Shu-Ting
;
Zhang, Wei
;
Zhao, Liu-Bin
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  |  
浏览/下载:124/0
  |  
提交时间:2021/04/06
CO2 reduction reaction
reaction kinetics
density functional theory
electrocatalytic activity
electrocatalytic selectivity
copper electrode
facet dependence
Developing micro-kinetic model for electrocatalytic reduction of carbon dioxide on copper electrode
期刊论文
JOURNAL OF CATALYSIS, 2021, 卷号: 393, 页码: 11-19
作者:
Xiang, Shi-Qin
;
Gao, Shu-Ting
;
Shi, Jun-Lin
;
Zhang, Wei
;
Zhao, Liu-Bin
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  |  
浏览/下载:150/0
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提交时间:2021/05/17
CO2 reduction reaction
Reaction kinetics
Reaction mechanism
Product selectivity
Density functional theory
1D porous tubular g-C3N4 capture black phosphorus quantum dots as 1D/0D metal-free photocatalysts for oxytetracycline hydrochloride degradation and hexavalent chromium reduction
期刊论文
APPLIED CATALYSIS B-ENVIRONMENTAL, 2020, 卷号: 273, 页码: 13
作者:
Wang, Wenjun
;
Niu, Qiuya
;
Zeng, Guangming
;
Zhang, Chen
;
Huang, Danlian
;
Shao, Binbin
;
Zhou, Chengyun
;
Yang, Yang
;
Liu, Yuxin
;
Guo, Hai
;
Xiong, Weiping
;
Lei, Lei
;
Liu, Shiyu
;
Yi, Huan
;
Chen, Sha
;
Tang, Xiang
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  |  
浏览/下载:1245/0
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提交时间:2020/08/24
BPQDs
Tubular g-C3N4
Cr(VI) reduction
Oxytetracycline hydrochloride
Density functional theory
Vibrational spectra of pyrazinamide and isoniazid studied by terahertz spectroscopy and density functional theory
期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2020, 卷号: 228, 页码: 11
作者:
Liang, Jie
;
Zhang, Xiaoxuan
;
Wang, Nan
;
Chang, Tianying
;
Cui, Hong-Liang
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  |  
浏览/下载:143/0
  |  
提交时间:2020/08/24
Terahertz time-domain spectroscopy (THz-TDS)
Anti-tuberculosis
Pyrazinamide
Isoniazid
Density functional theory (DFT)
Effects of External Electric Field on Hydrogen Storage Performance of Li-decorated Graphene Oxide
期刊论文
CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE, 2016, 卷号: 37, 期号: 1, 页码: 100-107
作者:
Zhao Han
;
Zhou Lina
;
Wei Dongshan
;
Zhou Xinjian
;
Shi Haofei
Adobe PDF(1127Kb)
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浏览/下载:112/0
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提交时间:2018/03/15
Graphene oxide
Hydrogen storage performance
Electric field
Density functional theory
Adsorption energy
Partial density of state
Lithium Storage on Extended Graphynes : Predicted by DFT Calculations
期刊论文
CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE, 2014, 卷号: 35, 期号: 8, 页码: 1731-1738
作者:
Zhao Han
;
Zhou Lina
;
Wei Dongshan
;
Zhou Xinjian
;
Shi Haofei
Adobe PDF(387Kb)
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浏览/下载:73/0
  |  
提交时间:2018/03/15
Graphyne
Lithium Storage
Density Functional Theory
Adsorption
Graph-n-yne