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Chinese Academy of Sciences Institutional Repositories Grid
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金属研究所 [13]
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期刊论文 [49]
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Highly sensitive and selective electrochemical detection of Pb(II) in serum via an alpha-Fe2O3/NiO heterostructure: Evidence from theoretical calculations and adsorption investigation
期刊论文
OAI收割
SENSORS AND ACTUATORS B-CHEMICAL, 2021, 卷号: 344
作者:
Wei, Juan
  |  
收藏
  |  
浏览/下载:32/0
  |  
提交时间:2021/08/30
alpha-Fe2O3/NiO heterostructure
Electroanalysis of Pb(II)
Highly sensitive and selective
Density functional theory (DFT) calculation
Serum sample
有机半导体异质结的设计合成及其在光催化领域的应用
学位论文
OAI收割
北京: 中国科学院大学;中国科学院生态环境研究中心, 2021
作者:
赵卫佳
  |  
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2022/06/24
光催化剂,异质结,氮化碳,共价有机框架,Dft(density Functional Theory)计算
photocatalyst, Heterojunction, Carbon Nitride, Covalent Organic Framework, Dft (density Functional Theory)calculation
Effects of solvation and applied potential on the adsorption behaviors of H, O, OH and H2O on Fe(110) surface
期刊论文
OAI收割
SURFACE SCIENCE, 2020, 卷号: 691, 页码: 8
作者:
Yin, Xiaoran
;
Wang, Haitao
;
Han, En-Hou
  |  
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2021/02/02
Electrode/electrolyte interface
Adsorption
Constant-potential calculation
Joint density functional theory
Interfacial formation of environmentally persistent free radicals-A theoretical investigation on pentachlorophenol activation on montmorillonite in PM2.5
期刊论文
OAI收割
ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY, 2019, 卷号: 169, 页码: 623-630
作者:
Pan, Wenxiao
;
Chang, Jiamin
;
Liu, Xian
;
Xue, Qiao
;
Fu, Jianjie
  |  
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2020/10/21
Environmentally persistent free radical
Montmorillonite
Interfacial reaction and activation
Density functional theory calculation
Atmospheric fine particulate matters
First-principle calculation of the electronic structures and optical properties of the metallic and nonmetallic elements-doped ZnO on the basis of photocatalysis
期刊论文
OAI收割
PHYSICA B-CONDENSED MATTER, 2019, 卷号: 555, 页码: 53-60
作者:
Feng, Chang
;
Chen, Zhuoyuan
;
Li, Weibing
;
Zhang, Fan
;
Li, Xiangbo
  |  
收藏
  |  
浏览/下载:58/0
  |  
提交时间:2019/08/28
Density functional theory (DFT)
First principle calculation
Doped ZnO
Photocatalysis
How does amino acid ligand modulate au core structure and characteristics in peptide coated au nanocluster?
期刊论文
iSwitch采集
Journal of nanoscience and nanotechnology, 2018, 卷号: 18, 期号: 3, 页码: 1799-1803
作者:
Li, Nan
;
Li, Xu
;
Zhao, Hongkang
;
Zhao, Lina
收藏
  |  
浏览/下载:99/0
  |  
提交时间:2019/04/23
Amino acid ligand
Au nanocluster
Atomic structure
Optical characteristics
Density functional theory calculation
How Does Amino Acid Ligand Modulate Au Core Structure and Characteristics in Peptide Coated Au Nanocluster?
期刊论文
OAI收割
JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY, 2018, 卷号: 18, 期号: 3, 页码: 1799-1803
作者:
Zhao, LN
;
Li, N
;
Li X(李旭)
;
Zhao LN(赵丽娜)
;
Li, X
  |  
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2019/09/24
Amino Acid Ligand
Au Nanocluster
Atomic Structure
Optical Characteristics
Density Functional Theory Calculation
Photocatalytic performance of TiO2 nanocrystals with/without oxygen defects
期刊论文
OAI收割
CHINESE JOURNAL OF CATALYSIS, 2018, 卷号: 39, 期号: 4, 页码: 867-875
作者:
Qi Kezhen
;
Liu Shuyuan
;
Qiu Meng
  |  
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2021/02/02
AUGMENTED-WAVE METHOD
VISIBLE-LIGHT
CO2 REDUCTION
ANATASE TIO2
001 FACETS
NANOSHEETS
PHASE
WATER
ZNO
PHOTOLUMINESCENCE
TiO2
Defect
Optical property
Photocatalytic activity
Density functional theory calculation
Experimental and Theoretical Study of Deprotonation of DNA Adenine Cation Radical
期刊论文
OAI收割
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2017, 卷号: 30, 期号: 6, 页码: 664-670
作者:
Jie, Jia-long
;
Wang, Chen
;
Zhao, Hong-mei
;
Song, Di
;
Su, Hong-mei
  |  
收藏
  |  
浏览/下载:146/0
  |  
提交时间:2019/04/09
Dna Adenine
Deprotonation Rate Constant
Activation Energy Barrier
Density Functional Theory Calculation
类金刚石碳薄膜多气氛摩擦学行为及摩擦机理研究
学位论文
OAI收割
北京: 中国科学院大学, 2017
作者:
师晶
  |  
收藏
  |  
浏览/下载:35/0
  |  
提交时间:2018/01/09
类金刚石薄膜
类富勒烯
摩擦磨损机理
分子吸附
密度泛函
Diamond-like Carbon Film
Fullerene-like Structure
Tribological Mechanisms
Molecule Adsorption
Density Functional Theory Calculation