Linear alkane C-C bond chemistry mediated by metal surfaces.
Linear alkanes undergo different C-C bond chemistry (coupling or dissociation) thermally activated on anisotropic metal surfaces depending on the choice of the substrate material. Owing to the one-dimensional geometrical constraint, selective dehydrogenation and C-C coupling (polymerization) of linear alkanes take place on Au(110) surfaces with missing-row reconstruction. However, the case is dramatically different on Pt(110) surfaces, which exhibit similar reconstruction as Au(110). Instead of dehydrogenative polymerization, alkanes tend to dehydrogenative pyrolysis, resulting in hydrocarbon fragments. Density functional theory calculations reveal that dehydrogenation of alkanes on Au(110) surfaces is an endothermic process, but further C-C coupling between alkyl intermediates is exothermic. On the contrary, due to the much stronger C-Pt bonds, dehydrogenation on Pt(110) surfaces is energetically favorable, resulting in multiple hydrogen loss followed by C-C bond dissociation.
School of Physics and Engineering and State Key Laboratory of Optoelectronic Materials and Technologies, Sun Yat-sen University, Xingang Xi Road 135, 510275 Guangzhou (China).
Zeying
Z
Cai
School of Physics and Engineering and State Key Laboratory of Optoelectronic Materials and Technologies, Sun Yat-sen University, Xingang Xi Road 135, 510275 Guangzhou (China).
Meizhuang
M
Liu
School of Physics and Engineering and State Key Laboratory of Optoelectronic Materials and Technologies, Sun Yat-sen University, Xingang Xi Road 135, 510275 Guangzhou (China).
Limin
L
She
School of Physics and Engineering and State Key Laboratory of Optoelectronic Materials and Technologies, Sun Yat-sen University, Xingang Xi Road 135, 510275 Guangzhou (China).
Xiaoli
X
Li
School of Physics and Engineering and State Key Laboratory of Optoelectronic Materials and Technologies, Sun Yat-sen University, Xingang Xi Road 135, 510275 Guangzhou (China).
Jason
J
Lee
School of Physics and Engineering and State Key Laboratory of Optoelectronic Materials and Technologies, Sun Yat-sen University, Xingang Xi Road 135, 510275 Guangzhou (China).
Dao-Xin
DX
Yao
Institute of Functional Nano and Soft Materials (FUNSOM) and Collaborative Innovation Center of Suzhou Science and Technology, Soochow University, 199 Ren-Ai Road, Suzhou, Jiangsu 215123 (China).
Haiming
H
Zhang
Institute of Functional Nano and Soft Materials (FUNSOM) and Collaborative Innovation Center of Suzhou Science and Technology, Soochow University, 199 Ren-Ai Road, Suzhou, Jiangsu 215123 (China).|Physikalisches Institut, Westfälische Wilhelms-Universität, Wilhelm-Klemm-Straße 10, 48149 Münster (Germany).
Lifeng
L
Chi
Physikalisches Institut, Westfälische Wilhelms-Universität, Wilhelm-Klemm-Straße 10, 48149 Münster (Germany).
Harald
H
Fuchs
School of Physics and Engineering and State Key Laboratory of Optoelectronic Materials and Technologies, Sun Yat-sen University, Xingang Xi Road 135, 510275 Guangzhou (China). dyzhong@mail.sysu.edu.cn.
Dingyong
D
Zhong
CC coupling; CC dissociation; alkanes; density functional calculations; scanning probe microscopy