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
金属研究所 [4]
武汉物理与数学研究所 [3]
化学研究所 [2]
上海药物研究所 [2]
大连化学物理研究所 [2]
地球环境研究所 [2]
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OAI收割 [23]
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期刊论文 [20]
学位论文 [2]
会议论文 [1]
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2025 [1]
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2020 [1]
2019 [2]
2018 [3]
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Materials ... [1]
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Chlorine vacancy-induced activation in two-dimensional transition metal dichlorides nanosheets for efficient CO electroreduction to C2+products
期刊论文
OAI收割
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2025, 卷号: 221, 页码: 36-45
作者:
Su, Qiwen
;
Chen, Lei
;
Yin, Lichang
;
Zhao, Jingxiang
  |  
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2025/04/27
Co electroreduction
Multicarbon products
2D metal dichlorides
Cl vacancy
DFT computations
Revealing the secrets of high performance lead-free CsSnCl3 based perovskite solar cell: A dive into DFT and SCAPS-1D numerical insights
期刊论文
OAI收割
SOLAR ENERGY MATERIALS AND SOLAR CELLS, 2024, 卷号: 277, 页码: 14
作者:
Saidani, Okba
;
Yousfi, Abderrahim
;
Samajdar, D. P.
;
Xu, Xueqing
;
Zemene, Taye Biniyam
  |  
收藏
  |  
浏览/下载:0/0
  |  
提交时间:2025/11/20
CsSnCl 3
DFT
PCE
Defect density
Lead free solar cell
WIEN2k
SCAPS-1D
Identifying atomically thin isolated-band channels for intrinsic steep-slope transistors by high-throughput study
期刊论文
OAI收割
SCIENCE BULLETIN, 2024, 卷号: 69, 期号: 10, 页码: 1427-1436
作者:
Qu, Hengze
;
Zhang, Shengli
;
Cao, Jiang
;
Wu, Zhenhua
;
Chai, Yang
  |  
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2025/04/27
2D materials
Electronic band structures
Transport properties
Steep-slope transistors
DFT-NEGF calculations
p Ten undescribed cadinane-type sesquiterpenoids from Eupatorium chinense
期刊论文
OAI收割
FITOTERAPIA, 2022, 卷号: 156, 页码: 9
作者:
Chen, Ziang
;
Ke, Chang-Qiang
;
Zhou, Shuaizhen
;
Feng, Lu
;
Tang, Chunping
  |  
收藏
  |  
浏览/下载:51/0
  |  
提交时间:2022/06/15
Eupatorium chinense
Cadinane
DFT NMR calculation
TDDFT ECD calculation
Eupatorinolides A-F
Eupatorinic acids A-D
Ten undescribed cadinane-type sesquiterpenoids from Eupatorium chinense
期刊论文
OAI收割
FITOTERAPIA, 2022, 卷号: 156, 页码: 105091
作者:
Chen, Ziang
;
Ke, Chang-Qiang
;
Zhou, Shuaizhen
  |  
收藏
  |  
浏览/下载:32/0
  |  
提交时间:2024/03/21
Eupatorium chinense
Cadinane
DFT NMR calculation
TDDFT ECD calculation
Eupatorinolides A-F
Eupatorinic acids A-D
Engineering the coordination environment enables molybdenum single-atom catalyst for efficient oxygen reduction reaction
期刊论文
OAI收割
JOURNAL OF CATALYSIS, 2020, 卷号: 389
作者:
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收藏
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浏览/下载:73/0
  |  
提交时间:2020/11/30
Single-atom catalyst
D-band center
Reaction barrier
DFT calculations
Zn-air battery
Hydrogen storage properties of Li-decorated B2S monolayers: A DFT study
期刊论文
OAI收割
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2019, 卷号: 44, 期号: 31, 页码: 16803-16810
作者:
Liu, Zhiyang
;
Liu, Shi
;
Er, Suleyman
  |  
收藏
  |  
浏览/下载:31/0
  |  
提交时间:2021/02/02
DFT
2D materials
B2S
Li
Molecular hydrogen storage
Understanding the infrared and Raman spectra of ganoderic acid A: An experimental and DFT study
期刊论文
OAI收割
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2019, 卷号: 210, 期号: 无, 页码: 372-380
作者:
Yao, Guohua
;
Ma, Yuhan
;
Muhammad, Muhammad
;
Huang, Qing
  |  
收藏
  |  
浏览/下载:125/0
  |  
提交时间:2020/03/31
Ganoderic acids (GAs)
Ganoderic acid A (GAA)
Infrared spectroscopy
Raman spectroscopy
Ganoderenic acid a (GOA)
DFT-M06-2X-D3
Self-assembly synthesis of boron-doped graphitic carbon nitride hollow tubes for enhanced photocatalytic NOx removal under visible light
期刊论文
OAI收割
Applied Catalysis B: Environmental, 2018, 卷号: 239, 页码: 352-361
作者:
Lee, SC (Lee, Shun Cheng)[ 5 ]
;
Ho, WK (Ho, Wingkei)[ 4 ]
;
Cao, JJ (Cao, Junji)[ 1,2,3 ]
;
Huang, TT (Huang, Tingting)[ 2,3 ]
;
Zhang, YF (Zhang, Yufei)[ 2,3 ]
  |  
收藏
  |  
浏览/下载:129/0
  |  
提交时间:2018/11/21
DFT predictions
1D tubular g-C3N4
B-doping
Self-assembly
Photocatalytic NO removal
Self-assembly synthesis of boron-doped graphitic carbon nitride hollow tubes for enhanced photocatalytic NOx removal under visible light
期刊论文
OAI收割
Applied Catalysis B: Environmental, 2018, 卷号: 239, 页码: 352-361
作者:
Wang, ZY (Wang, Zhenyu)[ 1,2 ]
;
Chen, MJ (Chen, Meijuan)[ 1 ]
;
Huang, Y (Huang, Yu)[ 2,3 ]
;
Shi, XJ (Shi, Xianjin)[ 2,3 ]
;
Zhang, YF (Zhang, Yufei)[ 2,3 ]
  |  
收藏
  |  
浏览/下载:75/0
  |  
提交时间:2018/11/20
Dft Predictions
1d Tubular G-c3n4
B-doping
Self-assembly
Photocatalytic No Removal