中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
机构
过程工程研究所 [15]
金属研究所 [7]
生态环境研究中心 [7]
合肥物质科学研究院 [5]
上海应用物理研究所 [4]
力学研究所 [2]
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OAI收割 [54]
内容类型
期刊论文 [52]
学位论文 [2]
发表日期
2020 [54]
学科主题
Materials ... [2]
Chemistry [1]
Energy & F... [1]
Science & ... [1]
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发表日期:2020
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Tests on the Accuracy and Scalability of the Full-Potential DFT Method Based on Multiple Scattering Theory
期刊论文
OAI收割
FRONTIERS IN CHEMISTRY, 2020, 卷号: 8, 页码: 590047
作者:
Cao PY(曹沛宇)
;
Fang J
;
Gao XY
;
Tian FY
;
Song HF
  |  
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2021/02/09
first principles
Korringa-Kohn-Rostoker (KKR)
multiple scattering theory (MST)
full potential
elastic constants
Resolving the Mechanism Complexity of Oxidative Dehydrogenation of Hydrocarbons on Nanocarbon by Microkinetic Modeling
期刊论文
OAI收割
ACS CATALYSIS, 2020, 卷号: 10, 期号: 23, 页码: 14006-14014
作者:
Lian, Zan
;
Si, Chaowei
;
Jan, Faheem
;
Yang, Min
;
Li, Bo
  |  
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2021/03/15
oxidative dehydrogenation
carbon catalysis
microkinetic modeling
radical reaction
reaction mechanism
density functional theory
Conformational Flexibility and Crystallization: The Case of 4-Hexyloxybenzoic Acid
期刊论文
OAI收割
CRYSTAL GROWTH & DESIGN, 2020, 卷号: 20, 期号: 12, 页码: 7694-7703
作者:
Du, Wei
;
Wang, Huifen
;
Wang, Runpu
;
Wang, Xuemin
;
Cheng, Penggao
  |  
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2021/03/29
Catalytic NO Reduction by CO over Ca-Fe Oxides in the Presence of O-2 with Sintering Flue Gas Circulation
期刊论文
OAI收割
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 2020, 卷号: 59, 期号: 47, 页码: 20624-20629
作者:
Li, Chaoqun
;
Han, Qingzhen
  |  
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2021/03/29
Enhanced Cr(VI) reduction by direct transfer of photo-generated electrons to Cr 3d orbitals in CrO42--intercalated BiOBr with exposed (110) facets
期刊论文
OAI收割
APPLIED CATALYSIS B-ENVIRONMENTAL, 2020, 卷号: 277, 页码: 1-8
作者:
Li, Tong
;
Gao, Yaowen
;
Zhang, Lili
;
Xing, Xueci
;
Huang, Xuan
  |  
收藏
  |  
浏览/下载:38/0
  |  
提交时间:2021/09/15
BiOBr
Intercalated topological transformation
Dual-impurity levels
Facet-dependent photoreduction of Cr (VI)
Efficient Hydrogen Peroxide (H2O2) Synthesis by CaSnO3 via Two-Electron Water Oxidation Reaction
期刊论文
OAI收割
ACS SUSTAINABLE CHEMISTRY & ENGINEERING, 2020, 卷号: 8, 期号: 39, 页码: 15005-15012
作者:
Kang T
;
Li B
;
Hao QL
;
Gao WJ
;
Bin F(宾峰)
  |  
收藏
  |  
浏览/下载:41/0
  |  
提交时间:2020/11/30
CaSnO3 nanoparticles
in situ H2O2 generation
two-electron water oxidation reaction
DFT
vacancy oxygen
calcination
Rapid degradation of aqueous doxycycline by surface CoFe2O4/H2O2 system: behaviors, mechanisms, pathways and DFT calculation
期刊论文
OAI收割
APPLIED SURFACE SCIENCE, 2020, 卷号: 526
作者:
Hong, Peidong
;
Li, Yulian
;
He, Junyong
;
Saeed, Abdul
;
Zhang, Kaisheng
  |  
收藏
  |  
浏览/下载:37/0
  |  
提交时间:2020/11/30
CoFe2O4
Doxycycline
Heterogeneous Fenton
Electronic transfer
DFT calculation
Complexation of Fe(III)/Catechols in atmospheric aqueous phase and the consequent cytotoxicity assessment in human bronchial epithelial cells (BEAS-2B)
期刊论文
OAI收割
ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY, 2020, 卷号: 202, 页码: 1-10
作者:
Zhu, Zhonghong
;
Zhang, Jin
;
Lv, Guochun
  |  
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2021/09/14
4-Nitrocatechol
4-Methylcatechol
Aerosol
Fe/catechols complex
Oligomer
Cytotoxicity
Robust enhanced hydrogen production at acidic conditions over molybdenum oxides-stabilized ultrafine palladium electrocatalysts
期刊论文
OAI收割
NANO RESEARCH, 2020
作者:
Sun, Ji
;
Zhang, Xian
;
Jin, Meng
;
Xiong, Qizhong
;
Wang, Guozhong
  |  
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2020/11/30
MoOx
Pd nanoparticles
electrocatalysts
hydrogen evolution reaction
Double-layered yolk-shell microspheres with NiCo2S4-Ni9S8-C hetero-interfaces as advanced battery-type electrode for hybrid supercapacitors
期刊论文
OAI收割
CHEMICAL ENGINEERING JOURNAL, 2020, 卷号: 396, 页码: 11
作者:
Yan, Yu
;
Li, Anran
;
Lu, Chengxing
;
Zhai, Tengfei
;
Lu, Shanfu
  |  
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2020/09/22
Metal-organic framework
Double-layered yolk-shell microspheres
NiCo2S4-Ni9S8-C hetero-interfaces
Battery-type electrode
Hybrid supercapacitor