Charge carrier mobility of carbon nanotubes modulated by silicon impurity from first principles

来源 :The 15th ICQC International Congress of Quantum Chemistry(第1 | 被引量 : 0次 | 上传用户：lvlianpeng2009

【摘要】

：

Quantum chemistry calculations currently have been widely used in the studies of the low-dimensional materials such as the carbon nanotubes(CNTs).

【作者】

：

Nini Yuan Hongcun Bai Yujia Ma Yongqiang Ji

【机构】

：

Key Laboratory of Energy Sources and Chemical Engineering,Ningxia University,Yinchuan,Ningxia 750021

【出处】

：

The 15th ICQC International Congress of Quantum Chemistry(第1

【发表日期】

：

2015年5期

下载到本地 , 更方便阅读

下载此文赞助VIP

声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架

论文部分内容阅读

Quantum chemistry calculations currently have been widely used in the studies of the low-dimensional materials such as the carbon nanotubes(CNTs).

其他文献

Symmetrized Gaussian basis expansion for phase space optimal multi-dimensional quantum dynamics

The exponentially scaling effort of solving the time dependent Schr(o)dinger equation has been the key problem since the dawn of computational investigation of quantum dvnamical processes.

会议

Spatial distribution of photon localization between nanocrystalline titania and photonic crystals

The light harvesting is improved when photonic crystals are mtroduced in photo-catalyst[1]and photovoltaic cells[2],due to photon localization.

会议

A theoretical study on the asymmetric cyclocarbonylation of allylic alcohols catalyzed By Pd complex

Asymmetric cyclocarbonylation of allylic alcohols catalyzed by palladium complex is an important way to synthesize various β,γ-unsaturated carboxylic acid and its derivatives such as chiral lactone.

会议

A first-principles study on the role of hydrogen in early stage of graphene growth during the CH4 di

The experimental study on the role of H2 in graphene CVD growth on Cu and Ni found that hydrogen can degrade quality of graphene on Cu,while it did not limit the graphene growth on Ni [1].

会议

Transformation steps for oxygen reduction reaction catalyzed by nitrogen-doped carbon nanotubes in a

At present,most of the carbon-based catalysts exhibited their excellent activity for oxygen reduction reaction(ORR) in alkaline medium[1].

会议

Hydrolysis of sulfur dioxide in small clusters of sulfuric acid

Theoretical calculations of the reactions SO2+H2O+H2SO4,SO2+(H2O)2+H2SO4,and SO2+H2O+(H2SO4)2 are performed to study the deposition and hydrolysis of SO2 on small sulfuric acid clusters.

会议

The interaction of glyoxylic acid with common atmospheric nucleation precursors

Glyoxylic acid(GA),the most abundant ketocarboxylic acid in the atmosphere,has high hydrophily and low volatility,and is believed to play an important role in the formation and growth of atmospheric s

会议

Theoretical study of stabilities,electronic and catalytic performance of supported platinum on modif

The CO poisoning,platinum particles agglomerate and the quite high cost of the catalyst greatly hinder the deployment of DMFCs.

会议

Laser sculpting of atomic sp,sp2,and sp3 hybrid orbitals

Atomic sp,sp2,and sp3 hybrid orbitals were introduced by Linus Pauling to explain the nature of the chemical bond[1].

会议

Reaction mechanisms of methane oxidation by the tricopper cluster in biomimetic complexes of the par

We report QM studies of the reaction mechanism for biomimetic tricopper complexes to convert methane to methanol after activation of O2.

会议

Charge carrier mobility of carbon nanotubes modulated by silicon impurity from first principles

其他学术论文