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Structures, Stabilities and Electronic Properties of Oxidized Graphene and Graphene Nanoribbons: Ins
[会议论文] 作者：Shaobin Tang,
来源：第十一届全国量子化学会议 年份：2011
...
The Role of Oxygen-Containing Functional Groups in Adsorption and Reaction of Gas Molecules on Graph
[会议论文] 作者：Shaobin Tang,
来源：第十三届全国计算机化学学会会议 年份：2015
...
Structures, Stabilities and Electronic Properties of Oxidized Graphene and Graphene Nanoribbons: Ins
[会议论文] 作者：Shaobin Tang,
来源：第十一届全国量子化学会议 年份：2011
...
The Role of Oxygen-Containing Functional Groups in Adsorption and Reaction of Gas Molecules on Graph
[会议论文] 作者：Shaobin Tang,
来源：第十三届全国计算机化学学会会议 年份：2015
The unique electronic and structural properties of graphene oxides(GOs) may offerextraordinary potential in the desigh of high-performance molecular sensors and novelcatalysts.Using the density functi...
The Origination of Chemical Reactivity of Graphene Oxides toward Novel Catalysts and Diels-Alder Rea
[会议论文] 作者：Shaobin Tang,
来源：第十三届全国量子化学会议 年份：2017
Graphene oxides(GOs)or reduced GOs(rGOs)may offer extraordinary potential for chemical functionalization of graphene and devices of novel catalysts.By means of density functional theory computations,w...
[会议论文] 作者：Shaobin Tang,Zexing Cao,
来源：第七届国际分子模拟与信息技术应用学术会议 年份：2014
Graphene oxides (GOs) may offer extraordinary potential in the design of novel catalytic systems due to the presence of various oxygen functional groups and the...
[会议论文] 作者：Shaobin Tang,Zexing Cao,
来源：第七届国际分子模拟与信息技术应用学术会议 年份：2014
The interactions of ammonia with graphene oxides (GO) were studied by density functional theory calculations.Our results indicate that the adsorption of NH3...
Realizing semiconductor-half-metal transition in zigzag graphene nanoribbons supported on hybrid flu
[会议论文] 作者：Shaobin Tang,Xinrui Cao,
来源：第八届国际分子模拟与信息技术应用学术会议 年份：2016
Hydrogenation and fluorination provide promising applications for tuning the properties of graphenebased nanomaterials.Using first-principles calculations,w...
Realizing Semiconductor-Half-Metal Transition in Zigzag Graphene Nanoribbons Supported on Hybrid Flu
[会议论文] 作者：Shaobin Tang,Xinrui Cao,
来源：第七届国际分子模拟与信息技术应用学术会议 年份：2014
Hydrogenation and fluorination provide promising applications for tuning the properties of graphene-based nanomaterials....
The Role of Oxygen-Containing Functional Groups in Graphene Oxides as Molecular Sensors and Novel Ca
[会议论文] 作者：Weihua Wu,Shaobin Tang,
来源：中国化学会第30届学术年会 年份：2016
The unique electronic and structural properties of graphene oxides (GOs) may offer extraordinary potential in the design of high-performance molecular senso...
Revealing Chemical Reactivity of Graphene Oxides toward Diels-Alder Reactions and C-H Bond Activatio
[会议论文] 作者：Weihua Wu,Shaobin Tang,
来源：第十三届全国量子化学会议 年份：2017
Graphene oxides(GOs)or reduced GOs(rGOs)may offer extraordinary potential for chemical functionalization of graphene due to their unique electronic and stru...
Revealing Chemical Reactivity of Graphene Oxides toward Diels-Alder Reactions and C-H Bond Activatio
[会议论文] 作者：Weihua Wu,Shaobin Tang,
来源：第十三届全国量子化学会议 年份：2017
Graphene oxides(GOs)or reduced GOs(rGOs)may offer extraordinary potential for chemical functionalization of graphene due to their unique electronic and structural properties....
The Role of Oxygen-Containing Functional Groups in Graphene Oxides as Molecular Sensors and Novel Ca
[会议论文] 作者：Weihua Wu,Shaobin Tang,
来源：中国化学会第30届学术年会 年份：2016
The unique electronic and structural properties of graphene oxides (GOs) may offer extraordinary potential in the design of high-performance molecular sensors and novel catalysts....
Effect of the Interfacial Interaction of Ag Nanoparticles with Graphene Oxide on Gas Molecules Adsor
[会议论文] 作者：Chao Peng,Weihua Wu,Shaobin Tang,
来源：第十三届全国量子化学会议 年份：2017
We investigated the structural and electronic properties of Ag13 nanoparticles(NPs)deposited on graphene oxides(GOs)and the effect of the interfacial intera...
Effect of the Interfacial Interaction of Ag Nanoparticles with Graphene Oxide on Gas Molecules Adsor
[会议论文] 作者：Chao Peng,Weihua Wu,Shaobin Tang,
来源：第十三届全国量子化学会议 年份：2017
We investigated the structural and electronic properties of Ag13 nanoparticles(NPs)deposited on graphene oxides(GOs)and the effect of the interfacial interaction on NH3 and NO adsorption by density fu...
Realizing semiconductor to metal transition in graphitic ZnO and MoS2 nanocomposite with external el
[会议论文] 作者：Weihua Wu,Shaobin Tang,Junjing Gu,Xinrui Cao,
来源：第八届国际分子模拟与信息技术应用学术会议 年份：2016
First-principles calculations have been used to investigate the structural and electronic properties of graphitic ZnO and MoS2(g-ZnO/MoS2)nanocomposites.It...
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