Applied Surface Science 442 (2018) 650–657 Contents lists available at ScienceDirect Applied Surface Science journal homepage: www.elsevier.com/locate/apsusc Full Length Article Passivation effect of Cl, F and H atoms on CuIn Ga Se (112) surface 0.75 0.25 2 a b a,c,⇑ c a Rong-fei Qi , Zhao-hui Wang , Fu-ling Tang , Itohan C. Agbonkina , Hong-tao Xue , a a a Feng-juan Si , Sheng-ling Ma , Xiao-ka Wang Department of Materials Science and Engineering, Lanzhou University of Technology, State Key Laboratory of Advanced Processing and Recycling of Nonferrous Metals, Lanzhou 730050, China Department of Electrical Engineering and Computer Science, Texas A&M University-Kingsville, 700 University Blvd, Kingsville, TX 78363, USA Department of Chemistry, Texas A&M University-Kingsville, 700 University Blvd, Kingsville, TX 78363, USA ar ti c l e i nf o ab stra ct Article history: Using the ﬁrst-principles calculations within the density functional-theory (DFT) framework, we theoret- Received 8 September 2017 ically investigated the surface reconstruction, surface states near the Fermi level and their passivation on Revised 17 January 2018 CuIn Ga Se (112) (CIGS) surface by chlorine, ﬂuorine and hydrogen. Surface reconstruction appears 0.75 0.25 2 Accepted 13 February 2018 on CIG-terminated CIGS (112) surface and it
Precambrian Research – Elsevier
Published: May 1, 2018
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