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宁波材料技术与工程研... [6]
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Dual-Metal Interbonding as the Chemical Facilitator for Single-Atom Dispersions
期刊论文
ADVANCED MATERIALS, 2020
作者:
Zhou, Yao
;
Song, Erhong
;
Chen, Wei
;
Segre, Carlo U.
;
Zhou, Jiadong
收藏
  |  
浏览/下载:124/0
  |  
提交时间:2020/12/16
HYDROGEN EVOLUTION
CATALYSTS
NANOPARTICLES
EFFICIENT
IDENTIFICATION
SPECTROSCOPY
OXIDE
Electrochemical Oxygen Reduction to Hydrogen Peroxide via a Two-Electron Transfer Pathway on Carbon-Based Single-Atom Catalysts
期刊论文
ADVANCED MATERIALS INTERFACES, 2020
作者:
Sun, Kai
;
Xu, Wenwen
;
Lin, Xiao
;
Tian, Shubo
;
Lin, Wen-Feng
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2020/12/16
DIRECT H2O2 PRODUCTION
NITROGEN-DOPED CARBON
PEM FUEL-CELLS
METAL-CATALYSTS
ELECTROCATALYTIC SYNTHESIS
MOLECULAR-OXYGEN
RATIONAL DESIGN
ELECTRO-FENTON
EFFICIENT
PD
Visible/infrared light-driven high-efficiency CO2 conversion into ethane based on a B-Co synergistic catalyst
期刊论文
JOURNAL OF MATERIALS CHEMISTRY A, 2020, 卷号: 8, 期号: 42, 页码: 22327-22334
作者:
Li, Lei
;
Guo, Haoran
;
Yao, Ge
;
Hu, Chenhui
;
Liu, Chunhong
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  |  
浏览/下载:16/0
  |  
提交时间:2020/12/16
HYDROGEN EVOLUTION REACTION
TOTAL-ENERGY CALCULATIONS
SINGLE-ATOM CATALYSTS
OXYGEN REDUCTION
CARBON-DIOXIDE
ELECTROCHEMICAL REDUCTION
ELECTROREDUCTION
TRANSITION
CU
SURFACE
Recent Progress in Low Pt Content Electrocatalysts for Hydrogen Evolution Reaction
期刊论文
ADVANCED MATERIALS INTERFACES, 2020, 卷号: 7, 期号: 14
作者:
Li, Zheng
;
Ge, Ruixiang
;
Su, Jianwei
;
Chen, Liang
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  |  
浏览/下载:6/0
  |  
提交时间:2020/12/16
HIGHLY EFFICIENT CATALYSTS
SINGLE-ATOM CATALYSTS
LAYERED DOUBLE HYDROXIDE
MULTIFUNCTIONAL ELECTROCATALYSTS
TITANIUM NITRIDE
NICKEL-HYDROXIDE
STABLE SINGLE
PLATINUM
GRAPHENE
ENERGY
Visible-Light-Enabled C-H Functionalization by a Direct Hydrogen Atom Transfer Uranyl Photocatalyst
期刊论文
CHEMISTRY-A EUROPEAN JOURNAL, 2020
作者:
Yu, Jipan
;
Zhao, Chongyang
;
Zhou, Rong
;
Gao, Wenchao
;
Wang, Shuai
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  |  
浏览/下载:37/0
  |  
提交时间:2020/12/16
PARA-QUINONE METHIDES
PHOTOREDOX CATALYSIS
1,6-CONJUGATE ADDITION
C(SP(3))-H BONDS
DIRECT ARYLATION
ACTIVATION
ALKYLATION
ACCESS
HYDROALKYLATION
AROMATIZATION
How Does the Hydrogen Bonding Interaction Influence the Properties of Polybenzoxazine? An Experimental Study Combined with Computer Simulation
期刊论文
MACROMOLECULES, 2018, 卷号: 51, 期号: 13, 页码: 4782-4799
作者:
Zhu, Jin
;
Du, Shiyu
;
Liu, Xiaoqing
;
Dai, Jinyue
;
Liu, Yuan
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  |  
浏览/下载:36/0
  |  
提交时间:2018/12/04
Ring-opening Polymerization
Fiber-reinforced Polybenzoxazine
Functional Benzoxazine Monomers
Thermomechanical Properties
Mechanical-properties
Molecular-dynamics
Thermal-properties
Thermoset Polymer
Network Structure
Curing Kinetics
Ru-55 nanoparticles catalyze the dissociation of H2O monomer and dimer to produce hydrogen: A comparative DFT study
期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2016, 卷号: 41, 期号: 6, 页码: 3844-3853
作者:
Cheng, Ping
;
Yang, Yongpeng
;
Ahmad, Nouman
;
Zhang, Shengli
;
Huang, Shiping
收藏
  |  
浏览/下载:36/0
  |  
提交时间:2016/04/22
Ru-55 nanoparticle
Dissociation of H2O
H2O dimer
DFT calculation
Mechanism of pyrophosphate ion release in T7 RNA polymerase revealed by free energy simulations
期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2016, 卷号: 1094, 页码: 127-132
作者:
Wu, SG
;
Jiang, MQ
;
Liu, L
;
Wu, SG (reprint author), Sichuan Normal Univ, Coll Chem & Mat Sci, Chengdu 610068, Peoples R China.
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2017/10/13
Molecular Dynamics Simulation
T7 Rna Polymerase
Ppi Release
Potential Of Mean Force
Free Energy Calculation for Base Pair Dissociation in a DNA Duplex
期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2016, 卷号: 32, 期号: 5, 页码: 1282-1288
作者:
Wu, SG
;
Wu, SG (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, Beijing 100190, Peoples R China.
;
Wu, SG (reprint author), Sichuan Normal Univ, Coll Chem & Mat Sci, Chengdu 610068, Peoples R China.
;
Feng, D
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2017/10/13
Potential Of Mean Force
Hydrogen Bond
Molecular Dynamics Simulation
Umbrella Sampling
Free Energy Calculation for Base Pair Dissociation in a DNA Duplex
期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2016, 卷号: 32, 期号: 5, 页码: 1282-1288
作者:
Wu, SG
;
Feng, D
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2019/04/08
Potential of mean force
MOLECULAR-DYNAMICS SIMULATIONS
Hydrogen bond
PARTICLE MESH EWALD
Molecular dynamics simulation
NUCLEIC-ACIDS
Umbrella sampling
FORCE-FIELD
RNA
TRIPHOSPHATE
MECHANICS
GROMACS
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