Ambient-pressure CVD of graphene on low-index Ni surfaces using methane: A combined experimental and first-principles study

作     者：Daniela L. Mafra Jimena A. Olmos-Asar Fabio R. Negreiros Alfonso Reina Ki Kang Kim Mildred S. Dresselhaus Jing Kong Gary J. Mankey Paulo T. Araujo 

作者机构：Department of Electrical Engineering and Computer Sciences Massachusetts Institute of Technology Cambridge Massachusetts 02139 USA Centro de Ciências Naturais e Humanas Universidade Federal do ABC Santo André 09210-580 SP Brazil INFIQC CONICET Departamento de Química Teórcia y Computacional Facultad de Ciencias Químicas Universidad Nacional de Córdoba X5000HUA Argentina Department of Materials Science and Engineering Massachusetts Institute of Technology Cambridge Massachusetts 02139 USA Department of Energy and Materials Engineering Dongguk University-Seoul Seoul 04620 Republic of Korea Department of Physics Massachusetts Institute of Technology Cambridge Massachusetts 02139 USA Department of Physics and Astronomy The University of Alabama Tuscaloosa Alabama 35487 USA Center for Materials for Information Technology (MINT Center) The University of Alabama Tuscaloosa Alabama 35401 USA Natural Sciences Institute Graduate Program in Physics - Federal University of Para Belem PA 66075-110 Brazil 

出 版 物：《Physical Review Materials》 (Physic. Rev. Mat.)

年 卷 期：2018年第2卷第7期

页      面：073404-073404页

核心收录：

基　　金：College of Arts and Sciences at the University of Alabama National Science Foundation, NSF, (DMR-1507806) National Science Foundation, NSF U.S. Department of Energy, USDOE Office of Science, SC Basic Energy Sciences, BES, (DE-SC0001088) Basic Energy Sciences, BES Fundação de Amparo à Pesquisa do Estado de São Paulo, FAPESP Consejo Nacional de Investigaciones Científicas y Técnicas, CONICET National Research Foundation of Korea, NRF Ministry of Science and ICT, South Korea, MSIT, (2018R1A2B2002302) Ministry of Science and ICT, South Korea, MSIT 

主　　题：Growth Synthesis 2-dimensional systems Carbon-based materials Atomic force microscopy Chemical vapor deposition Density functional calculations Density functional theory Raman spectroscopy 

摘      要：The growth of large area single-layer graphene (1-LG) is studied using ambient pressure chemical vapor deposition on single-crystal Ni(111), Ni(110), and Ni(100). By varying both the furnace temperature in the range of 800–1100 °C and the gas flow through the growth chamber, uniform, high-quality 1-LG is obtained for Ni(111) and Ni(110) single crystals and for Ni(100) thin films. Surprisingly, only multilayer graphene growth could be obtained for single-crystal Ni(100). The experimental results are analyzed to determine the optimum combination of temperature and gas flow. Characterization with optical microscopy, Raman spectroscopy, and optical transmission support our findings. Density-functional theory calculations are performed to determine the energy barriers for diffusion, segregation, and adsorption, and model the kinetic pathways for formation of different carbon structures on the low-index surfaces of Ni.