title: Step-Edge Assisted Direct Linear Alkane Coupling.
abstract: Direct coupling of alkanes via C-H activation of terminal methyl groups has acquired tremendous interests both scientifically and technically. Herein we present the results of linear alkane-coupling at the step edges of Cu surfaces at modulated temperatures. Combining the observations of scanning tunneling microscopy (STM) with density functional theory plus dispersion (DFT-D) calculations, we elucidate the mechanism of the reaction and demonstrate that the low activation barrier relies on heterogeneous catalysis at the upper step edges, where low-coordinated surface atoms are present. We further reveal the generality of the reaction, so that it can be applied on the step edges of different facets of surfaces.
authors.affiliation: Institute of Functional Nano and Soft Materials (FUNSOM), Jiangsu Key Laboratory for Carbon-Based Functional Materials &devices, Soochow University, Suzhou, 215123, P. R. China.
authors.forename: Junjie
authors.initials: J
authors.lastname: Zhang
authors.affiliation: Institute of Industrial Catalysis, School of Chemical Engineering and Technology, Xi'an Jiaotong University, Xi'an, 710049, P. R. China.
authors.forename: Chun-Ran
authors.initials: CR
authors.lastname: Chang
authors.affiliation: Institute of Functional Nano and Soft Materials (FUNSOM), Jiangsu Key Laboratory for Carbon-Based Functional Materials &devices, Soochow University, Suzhou, 215123, P. R. China.
authors.forename: Biao
authors.initials: B
authors.lastname: Yang
authors.affiliation: Institute of Functional Nano and Soft Materials (FUNSOM), Jiangsu Key Laboratory for Carbon-Based Functional Materials &devices, Soochow University, Suzhou, 215123, P. R. China.
authors.forename: Nan
authors.initials: N
authors.lastname: Cao
authors.affiliation: Institute of Functional Nano and Soft Materials (FUNSOM), Jiangsu Key Laboratory for Carbon-Based Functional Materials &devices, Soochow University, Suzhou, 215123, P. R. China.
authors.forename: Chencheng
authors.initials: C
authors.lastname: Peng
authors.affiliation: Institute of Functional Nano and Soft Materials (FUNSOM), Jiangsu Key Laboratory for Carbon-Based Functional Materials &devices, Soochow University, Suzhou, 215123, P. R. China.
authors.forename: Haiming
authors.initials: H
authors.lastname: Zhang
authors.affiliation: Organisch-Chemisches Institut, Universiät Münster, Corrensstrasse 40, 48149, Münster, Germany.
authors.forename: Dan-Tam D
authors.initials: DD
authors.lastname: Tang
authors.affiliation: Organisch-Chemisches Institut, Universiät Münster, Corrensstrasse 40, 48149, Münster, Germany.
authors.forename: Frank
authors.initials: F
authors.lastname: Glorius
authors.affiliation: Organisch-Chemisches Institut, Universiät Münster, Corrensstrasse 40, 48149, Münster, Germany.
authors.forename: Gerhard
authors.initials: G
authors.lastname: Erker
authors.affiliation: Physikalisches Institut, Universiät Münster, Corrensstrasse 40, 48149, Münster, Germany.
authors.forename: Harald
authors.initials: H
authors.lastname: Fuchs
authors.affiliation: Institute of Functional Nano and Soft Materials (FUNSOM), Jiangsu Key Laboratory for Carbon-Based Functional Materials &devices, Soochow University, Suzhou, 215123, P. R. China.
authors.forename: Qing
authors.initials: Q
authors.lastname: Li
authors.affiliation: Institute of Functional Nano and Soft Materials (FUNSOM), Jiangsu Key Laboratory for Carbon-Based Functional Materials &devices, Soochow University, Suzhou, 215123, P. R. China.
authors.forename: Lifeng
authors.initials: L
authors.lastname: Chi
keywords: Cu step edges; STM; alkane; on-surface synthesis; polymerization