Stacking Modes-Induced Chemical Reactivity Differences on Chemical Vapor Deposition-Grown Trilayer Graphene

作者:Ding, Y (Ding, Yao)^[1 ]; Wu, RZ (Wu, Ruizhe)^[1 ]; Abidi, IH (Abidi, Irfan Haider)^[1 ]; Wong, HL (Wong, Hoilun)^[1 ]; Liu, ZJ (Liu, Zhenjing)^[1 ]; Zhuang, MH (Zhuang, Minghao)^[1 ]; Gan, LY (Gan, Li-Yong)^[2 ]; Luo, ZT (Luo, Zhengtang)^[1 ]

Trilayer graphene (TLG) synthesized by chemical vapor deposition (CVD), in particular the twisted TLG, exhibits sophisticated electronic structures that depend on their stacking modes. Here, we computationally and experimentally demonstrate the chemical reactivity differences of CVD-TLG induced by the stacking modes and corroborated by a photoexcited phenyl-grafting reaction. The experimental results show that the ABA stacking TLGs have the most inert chemical property, yet 30 degrees-30 degrees stacking twisted TLGs are the most active. Further, density functional theory calculations have shown that the chemical reactivity difference can be quantitatively explained by the differences in the number of hot electrons generated in their valence band during irradiation. The activity difference is further verified by the calculated adsorption energy of phenyl on the TLGs. Our work provides insight into the chemistry of TLG and addresses the challenges associated with selective functionalization of TLG with phenyl groups. The understandings developed in this project can also guide the future development of TLG-based functional devices.

作者关键词:trilayer graphene; band structures; DFT calculations; stacking modes; photo-excited reaction

KeyWords Plus:TWISTED BILAYER GRAPHENE; FUNCTIONALIZATION; DEPENDENCE; LAYER

通讯作者地址:Luo, ZT (通讯作者)

Hong Kong Univ Sci & Technol, Dept Chem & Biol Engn, Kowloon 999077, Hong Kong, Peoples R China.   增强组织信息的名称     Hong Kong University of Science & Technology

South China Univ Technol, Sch Mat Sci & Engn, Key Lab Adv Energy Storage Mat Guangdong Prov, Guangzhou 510641, Guangdong, Peoples R China.   增强组织信息的名称     South China University of Technology

地址:

	[ 1 ] Hong Kong Univ Sci & Technol, Dept Chem & Biol Engn, Kowloon 999077, Hong Kong, Peoples R China   增强组织信息的名称     Hong Kong University of Science & Technology
	[ 2 ] South China Univ Technol, Sch Mat Sci & Engn, Key Lab Adv Energy Storage Mat Guangdong Prov, Guangzhou 510641, Guangdong, Peoples R China   增强组织信息的名称     South China University of Technology

电子邮件地址:ganly@scut.edu.cn; keztluo@ust.hk

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