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Activated dissociation of H
2
on the Cu(001) surface: The role of quantum tunneling
期刊论文
CHINESE PHYSICS B, 2023, 卷号: 32
作者:
Yu, Xiaofan
;
Tong, Yangwu
;
Yang, Yong
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2023/11/10
H-2
Cu(001)
dissociation
quantum tunneling
density functional theory (DFT)
transfer matrix method
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
Density functional theory (DFT) studies of vanadium-titanium based selective catalytic reduction (SCR) catalysts
期刊论文
JOURNAL OF ENVIRONMENTAL SCIENCES, 2020, 卷号: 90, 页码: 119-137
作者:
Zhao, Ziwei
;
Li, Erwei
;
Qin, Yu
;
Liu, Xiaolong
;
Zou, Yang
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2020/05/06
Selective catalytic reduction (SCR)
Structure model
Vanadium-titanium based catalyst
Density functional theory (DFT)
Adsorption
Vibrational spectra of pyrazinamide and isoniazid studied by terahertz spectroscopy and density functional theory
期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2020, 卷号: 228, 页码: 11
作者:
Liang, Jie
;
Zhang, Xiaoxuan
;
Wang, Nan
;
Chang, Tianying
;
Cui, Hong-Liang
收藏
  |  
浏览/下载:38/0
  |  
提交时间:2020/08/24
Terahertz time-domain spectroscopy (THz-TDS)
Anti-tuberculosis
Pyrazinamide
Isoniazid
Density functional theory (DFT)
N-dependent ozonation efficiency over nitrogen-containing heterocyclic contaminants: A combined density functional theory study on reaction kinetics and degradation pathways
期刊论文
CHEMICAL ENGINEERING JOURNAL, 2020, 卷号: 382, 页码: 10
作者:
Yao, Yujie
;
Xie, Yongbing
;
Zhao, Binran
;
Zhou, Linbi
;
Shi, Yanchun
收藏
  |  
浏览/下载:357/0
  |  
提交时间:2020/03/24
Nitrogen heterocyclic compounds (NHCs)
Ozonation
Density functional theory (DFT)
Reaction mechanism
Degradation pathway
石墨烯优化固体聚合物电解质电解法分离氢同位素的模拟分析
期刊论文
核技术, 2020, 卷号: 43, 期号: 10, 页码: 52-58
作者:
卫飞
;
唐方东
;
刘佳煜
;
忻智炜
;
曾友石
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2021/04/25
石墨烯
氢同位素分离
密度泛函理论(Density Functional Theory,DFT)
SPE电解法
分离系数
Occurrence of both hydroxyl radical and surface oxidation pathways in N-doped layered nanocarbons for aqueous catalytic ozonation
期刊论文
APPLIED CATALYSIS B-ENVIRONMENTAL, 2019, 卷号: 254, 页码: 283-291
作者:
Wang, Yuxian
;
Chen, Lulu
;
Chen, Chunmao
;
Xi, Jiaxin
;
Cao, Hongbin
收藏
  |  
浏览/下载:116/0
  |  
提交时间:2019/09/03
Metal-free catalysis
Catalytic ozonation
Nitrogen doping
Surface oxidation
Density functional theory (DFT)
Monometallic nanoporous nickel with high catalytic performance towards hydrazine electro-conversion and its DFT calculations
期刊论文
ELECTROCHIMICA ACTA, 2019, 卷号: 317, 页码: 449-458
作者:
Luo, Bing
;
Wu, Tongwei
;
Zhang, Lili
;
Diao, Fangyuan
;
Zhang, Yanning
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2021/02/02
Nanoporous nickel
Magnetron sputtering
Dealloying
Hydrazine conversion
Density functional theory (DFT)
Monometallic nanoporous nickel with high catalytic performance towards hydrazine electro-conversion and its DFT calculations
期刊论文
ELECTROCHIMICA ACTA, 2019, 卷号: 317, 页码: 449-458
作者:
Luo, Bing
;
Wu, Tongwei
;
Zhang, Lili
;
Diao, Fangyuan
;
Zhang, Yanning
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2021/02/02
Nanoporous nickel
Magnetron sputtering
Dealloying
Hydrazine conversion
Density functional theory (DFT)
Boosting the rate capability of multichannel porous TiO2 nanofibers with well-dispersed Cu nanodots and Cu2+-doping derived oxygen vacancies for sodium-ion batteries
期刊论文
NANO RESEARCH, 2019, 卷号: 12, 期号: 9, 页码: 2211-2217
作者:
Wu, Ying
;
Wei, Zengxi
;
Xu, Rui
;
Gong, Yue
;
Gu, Lin
收藏
  |  
浏览/下载:83/0
  |  
提交时间:2019/12/02
multichannel porous TiO2 nanofibers
Cu nanodots
Cu2+ doping
sodium ion batteries
density functional theory (DFT) calculations
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