グラフェン端からの電界電子放出現象の端形状と官能基種依存性

石墨烯边缘场电子发射现象的边缘形状和官能团种类依赖性

• 批准号: 18J12739
• 负责人: GAO YANLIN
• 金额: $ 1.34万
• 依托单位: University of Tsukuba
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for JSPS Fellows
• 财政年份: 2018
• 资助国家: 日本
• 起止时间: 2018-04-25 至 2020-03-31
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-18J12739/
• 关键词: Graphene; Field emission; DFT; Edge shape; Edge functionalization

I studied electronic properties of graphene edges under an external electric field to provide the microscopic mechanisms on the field emission (FE) properties from graphene edge in terms of the edge shape and functionalization, using the DFT combined with effective screening medium method. My calculations clarified that the FE properties of graphene are sensitive to the edge shapes and functionalization. As for the edge shape, the armchair edge shows the largest emission current among all edge shapes. As for the edge functionalization, the graphene edges functionalized by H, OH, and COOH cause relatively large emission current for a wide range of the electric field due to the decrease in the electrostatic potential barriers caused by the dipoles at the edge.

利用密度泛函理论结合有效屏蔽介质的方法，研究了外加电场作用下石墨烯边缘的电子性质，从边缘形状和官能化两个方面探讨了影响石墨烯边缘场发射性能的微观机制。我的计算表明，石墨烯的有限元性质对边缘形状和官能化很敏感。对于边缘形状，扶手椅边缘在所有边缘形状中表现出最大的发射电流。在边缘功能化方面，由于边缘偶极子引起的静电势垒降低，H、OH和COOH功能化的石墨烯边缘在较宽的电场范围内产生了较大的发射电流。

项目成果

Electrostatic property of graphene edges under an external electric field

外电场作用下石墨烯边缘的静电特性

• 发表时间: 2019
• 作者: Gao Yanlin;Okada Susumu;Yanlin Gao and Susumu Okada;Yanlin Gao and Susumu Okada
• 通讯作者: Yanlin Gao and Susumu Okada

Field emission properties of edge-functionalized graphene

• DOI: 10.1016/j.carbon.2018.10.019
• 发表时间: 2019-02-01
• 期刊: CARBON
• 影响因子: 10.9
• 作者: Gao, Yanlin;Okada, Susumu
• 通讯作者: Okada, Susumu

Electrostatic properties of graphene nanoribbons under an external electric field

外电场作用下石墨烯纳米带的静电性能

• 发表时间: 2018
• 作者: Gao Yanlin;Okada Susumu;Yanlin Gao and Susumu Okada;Yanlin Gao and Susumu Okada;Yanlin Gao and Susumu Okada;Yanlin Gao and Susumu Okada;Yanlin Gao and Susumu Okada;Yanlin Gao and Susumu Okada
• 通讯作者: Yanlin Gao and Susumu Okada

Electrostatic properties of graphene edges for electron emission under an external electric field

• DOI: 10.1063/1.5023845
• 发表时间: 2018-04
• 期刊: Applied Physics Letters
• 影响因子: 4
• 作者: Yanlin Gao;S. Okada

Electrostatic properties of bilayer graphene nanoribbons under an external electric field

双层石墨烯纳米带在外电场作用下的静电性能

• 发表时间: 2019
• 作者: Gao Yanlin;Okada Susumu;Yanlin Gao and Susumu Okada
• 通讯作者: Yanlin Gao and Susumu Okada