论文部分内容阅读
材料的性质与其结构息息相关，具有新奇结构的材料往往能呈现出一些独特的性质。材料的结构本质上反应的是组成材料的原子之间的成键方式，因此设计含有反常规化学键的低维纳米材料有望带来新的性质和应用。
新颖二维材料的设计与模拟
【摘 要】
：
材料的性质与其结构息息相关，具有新奇结构的材料往往能呈现出一些独特的性质。材料的结构本质上反应的是组成材料的原子之间的成键方式，因此设计含有反常规化学键的低维纳
【机 构】
：
南京师范大学化学与材料科学学院,南京市文苑路1号,210023
【出 处】
：
中国化学会第14 届全国计算(机)化学学术会议暨分子模拟国际论坛
【发表日期】
：
2017年11期
其他文献
Bead-level characterization of early-stage amyloid β42 aggregates:nuclei and ionic concentration eff
Alzheimer 's disease(AD)is characterized by the accumulation of insoluble fibrillar aggregates of β-amyloid peptides in the brain of AD patients.
会议
Electronic structures of zigzag(n,0),armchair(n,n),and chiral(n,m)α-graphyne nanotubes(αGNTs)with n = 2-7were investigated with density functional tight b
会议
Multiple-cation compounds always show more desirable properties than that of mono-metallic compounds in the field of the controllable dehydrogenation as hyd
会议
Exploring novel anticancer drugs with high efficacy and less toxicity has attracted much attention in the past few decades 1.Here,we select the experimental
会议
生物系统的多种复杂功能，依赖于各种蛋白质分子在生理环境下的以其结构为基础的不同形式和程度的表达。蛋白质的功能表达往往涉及其在非结晶状态下的结构变化。其中包含了
High selectively synthesis from syngas to ethanol is the important way to further improve the economic benefits in the underground coal gasification,ethanol
会议
The chemical repair mechanisms and rate constants of damaged DNA by neutral and anionic forms of trans-resveratrol in the gas,polar and non-polar solvents h
会议
Based on variable components global optimization Cuttlefish algorithm,we predict a stable two-dimensional(2D)phase of boron phosphide with 1∶5 stoichiometr
会议
Cu-Ni core-shell nanoparticles:structure,stability,electronic and magnetic properties:a spin-polariz
Bimetallic core-shell nanoparticles(CSNPs)have attracted great interest not only because of their superior stability,selectivity,and catalytic activity,but
会议
Molecular mechanism of the partition of 2-aminoethyldiphenylborinate in a fully hydrated lipid bilay
2-Aminoethoxydiphenylborate(2-APB)is a broad-spectrum modulator of various membrane proteins.Specifically,it exhibits concentration dependent modulation of
会议