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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
SENSORS AND ACTUATORS B-CHEMICAL, 2021, 卷号: 344
作者:
Wei, Juan
;
Zhao, Jie
;
Li, Chun-Yang
;
Xie, Xiao-Yu
;
Wei, Yuan-Yuan
收藏
  |  
浏览/下载:82/0
  |  
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
First-Principles Study of Electronic Properties of SnO2/CsPbI2Br Interface
期刊论文
JOURNAL OF ELECTRONIC MATERIALS, 2021, 卷号: 50, 期号: 4, 页码: -
作者:
Hu, Wei
;
An, Junpeng
;
Si, Fengjuan
;
Xue, Hongtao
;
Tang, Fuling
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2021/03/12
Binding energy
Bromine compounds
Calculations
Chemical bonds
Density functional theory
Electronic properties
Lattice mismatch
Lattice theory
Lead compounds
Perovskite
Perovskite solar cells
Semiconductor quantum wells
Doping modification
First-principles calculation
First-principles study
Heterogeneous interfaces
Interface control
Interface orientation
Microscopic properties
Theoretical research
Effects of solvation and applied potential on the adsorption behaviors of H, O, OH and H2O on Fe(110) surface
期刊论文
SURFACE SCIENCE, 2020, 卷号: 691, 页码: 8
作者:
Yin, Xiaoran
;
Wang, Haitao
;
Han, En-Hou
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  |  
浏览/下载:14/0
  |  
提交时间:2021/02/02
Electrode/electrolyte interface
Adsorption
Constant-potential calculation
Joint density functional theory
Atomic-scale insights into zeolite-based catalysis in N2O decomposition
期刊论文
SCIENCE OF THE TOTAL ENVIRONMENT, 2019, 卷号: 673, 页码: 266-271
作者:
He, Guangzhi
;
Zhang, Bo
;
He, Hong
;
Chen, Xueyan
;
Shan, Yulong
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  |  
浏览/下载:14/0
  |  
提交时间:2020/10/22
Zeolite
N2O elimination
Catalytic mechanism
Activity difference
Electronic structure
Density functional theory calculation
Interfacial formation of environmentally persistent free radicals-A theoretical investigation on pentachlorophenol activation on montmorillonite in PM2.5
期刊论文
ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY, 2019, 卷号: 169, 页码: 623-630
作者:
Pan, Wenxiao
;
Chang, Jiamin
;
Liu, Xian
;
Xue, Qiao
;
Fu, Jianjie
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  |  
浏览/下载:58/0
  |  
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
PHYSICA B-CONDENSED MATTER, 2019, 卷号: 555, 页码: 53-60
作者:
Feng, Chang
;
Chen, Zhuoyuan
;
Li, Weibing
;
Zhang, Fan
;
Li, Xiangbo
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浏览/下载:61/0
  |  
提交时间:2019/08/28
Density functional theory (DFT)
First principle calculation
Doped ZnO
Photocatalysis
Quasiparticle electronic structure of honeycomb C3N: from monolayer to bulk
期刊论文
2D MATERIALS, 2019, 卷号: 6
作者:
Wu, Yabei[1]
;
Xia, Weiyi[2]
;
Gao, Weiwei[3]
;
Jia, Fanhao[4]
;
Zhang, Peihong[5]
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  |  
浏览/下载:11/0
  |  
提交时间:2019/04/22
electronic structure
density functional theory
quasiparticle calculation
2D C3N
Nature of Bimetallic Oxide SbMoO/rGO Anode for High‐Performance Potassium‐Ion Batteries
期刊论文
Advanced Science, 2019, 卷号: Vol.6 No.17
作者:
Jue Wang
;
Bin Wang
;
Zhaomeng Liu
;
Ling Fan
;
Qingfeng Zhang
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  |  
浏览/下载:9/0
  |  
提交时间:2019/12/13
anodes
bimetallic oxide
density functional theory (DFT) calculation
operando X‐ray diffraction
potassium‐ion batteries
Intriguing electric field effect on magnetic spin couplings in dielectron clathrate hydrates
期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2019, 卷号: 119, 期号: 13
作者:
Luo, Qi
;
Bu, Yuxiang
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  |  
浏览/下载:8/0
  |  
提交时间:2019/12/11
density functional theory calculation
dielectron clathrate hydrate
cluster
electric field effect
magnetic spin coupling
through
electron-permeating H-bond coupling channel
Dynamic Relaying Properties of a beta-Turn Peptide in Long-Range Electron Transfer
期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2019, 卷号: 40, 期号: 9, 页码: 988-996
作者:
Song, Xiufang
;
Zhang, Fengying
;
Bu, Yuxiang
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  |  
浏览/下载:5/0
  |  
提交时间:2019/12/11
electron transfer relay
beta-turn peptide
vibrational effect
dynamic
property
density functional theory calculation
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