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Theoretical Exploration of Properties of Iron-Silicon Interface Constructed by Depositing Fe on Si(111)-(7x7)
期刊论文
MOLECULES, 2023, 卷号: 28, 期号: 20, 页码: 13
作者:
Yin, Jun-Qing
;
Zhang, Yan-Ping
;
You, Yong
;
Wang, Zhen-Hua
;
Zhao, Jian-Qiang
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2023/11/28
iron
Si(111)-(7x7)
iron-silicon interface
CO adsorption
density functional theory
First-principles study of adsorption and migration of alkali and alkaline earth metals (Rb, Cs, and Ba) on graphene
期刊论文
APPLIED SURFACE SCIENCE, 2023, 卷号: 610
作者:
Zhao, Ming
;
Li, Xiaochen
;
Fang, Shuoyang
;
Jiang, Zhizhong
;
Yu, Jie
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2022/12/23
Metals adsorption
Migration barrier
Work function
Defective graphene
B
O doping
Occurrence characteristics and influential factors of movable oil in nano-pores by molecular dynamics simulation
期刊论文
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, 2022, 卷号: 655, 页码: 10
作者:
Luo,Yongcheng
;
Xiao,Hanmin
;
Liu,Xiangui
;
Zheng TY(郑太毅)
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2022/11/21
Adsorption
Potential energy
Self -diffusion coefficient
Molecular dynamics
First-principles calculation of the resistance to lead-bismuth eutectic corrosion on Fe (111) surface of austenitic stainless steel
期刊论文
Surface Science, 2022, 卷号: 725
作者:
Long, Xinglin
;
Shi, Jingli
;
Zhu, Jun
;
Wan, Lei
;
Gao, Tao
收藏
  |  
浏览/下载:27/0
  |  
提交时间:2022/08/09
Alloying
Alloying elements
Aluminum corrosion
Atoms
Austenitic stainless steel
Bismuth
Calculations
Corrosion inhibitors
Corrosive effects
Density functional theory
Eutectics
Steel corrosion
Adsorption effect
Adsorption energies
Escape
Fe atoms
First principle calculations
First principles
Lead-bismuth eutectic
Lead-bismuth eutectics
Metal atoms
Molecular Evolution of Nitrogen Dioxide on a Nanostructured Gold Surface in the Atmosphere by In Situ Surface-Enhanced Raman Spectroscopy
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2022
作者:
Fu, Hao
;
Bao, Haoming
;
Zhang, Hongwen
;
Zhao, Qian
;
Zhou, Le
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  |  
浏览/下载:9/0
  |  
提交时间:2022/12/23
Surface Oxygen Vacancies Confined by Ferroelectric Polarization for Tunable CO Oxidation Kinetics
期刊论文
ADVANCED MATERIALS, 2022, 页码: 9
作者:
Ren, Zhaohui
;
Ruan, Luoyuan
;
Yin, Lichang
;
Akkiraju, Karthik
;
Giordano, Livia
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  |  
浏览/下载:15/0
  |  
提交时间:2022/09/16
ferroelectrics
polarization screening
surface oxygen vacancies
tunable oxidation reaction
Achieving efficient N-2 electrochemical reduction by stabilizing the N2H* intermediate with the frustrated Lewis pairs
期刊论文
JOURNAL OF ENERGY CHEMISTRY, 2022, 卷号: 66, 页码: 628-634
作者:
Chen, Zhe
;
Zhao, Jingxiang
;
Jiao, Yan
;
Wang, Tao
;
Yin, Lichang
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2022/07/01
Nitrogen reduction
Electrocatalysis
Intermediate stabilization strategy
Density functional theory
Exploring the photocatalytic conversion mechanism of gaseous formaldehyde degradation on TiO2-x-OV surface
期刊论文
JOURNAL OF HAZARDOUS MATERIALS, 2022, 卷号: 424, 页码: 9
作者:
Li, Xinwei
;
Li, Haiwei
;
Huang, Yu
;
Cao, Junji
;
Huang, Tingting
收藏
  |  
浏览/下载:69/0
  |  
提交时间:2021/12/07
Formaldehyde
Photocatalytic degradation
Oxygen vacancies
Quantum efficiency
Intermediates
Experimental and DFT-D3 study of sensitivity and sensing mechanism of ZnSnO3 nanosheets to C3H6O gas
期刊论文
JOURNAL OF MATERIALS SCIENCE, 2022, 卷号: 57, 期号: 5, 页码: 3231-3251
作者:
Jiang, Lili
;
Chen, Zhaoyu
;
Cui, Qi
;
Xu, Su
;
Tang, Fuling
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2022/03/01
Acetone
Charge transfer
Chemical detection
Chemical sensors
Density functional theory
Design for testability
Gas detectors
Gases
Nanosheets
Perovskite
Tin compounds
Acetone gas
Density-functional-theory
First principle method
Gas sensitivity
High sensitivity
Perovskite type
Sensing material
Sensing mechanism
Sensitivity mechanisms
Sensitivity tests
Na2SnO3 functions as outstanding magnesium alloy passivator by synergistic effect with trace carboxymethyl chitosan for Mg-air batteries for standby protection
期刊论文
NEW JOURNAL OF CHEMISTRY, 2021, 页码: 23
作者:
Chen, Liangyuan
;
Ma, Xiumin
;
Ma, Zheng
;
Lu, Dongzhu
;
Hou, Baorong
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  |  
浏览/下载:31/0
  |  
提交时间:2022/02/18
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