Browsing bySubjectab initio calculations

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Showing results 1 to 7 of 7

Issue DateTitleAuthor(s)
2016-09Atomic and electronic structures of a-ZnSnO3/a-SiO2 interface by ab initio molecular dynamics simulationsPark, Jaehong; Lee, Joohwi; Hwang, Cheol Seong; Choi, Jung-Hae
2014-08Effect of Cu alloying on S poisoning of Ni surface via ab initio thermodynamics calculationsKim, Ji-Su; Kim, Byung-Kook; Kim, Yeong-Cheol
2014-10-21Effect of oxygen vacancy on the structural and electronic characteristics of crystalline Zn2SnO4Lee, Joohwi; Kang, Youngho; Hwang, Cheol Seong; Han, Seungwu; Lee, Seung-Cheol; Choi, Jung-Hae
2022-05Investigation of anisotropic mechanical, electronic, and charge carrier transport properties of germanium-pnictogen monolayersAbboud, M.; Ozbey, D. H.; Kilic, M. E.; Durgun, E.
2018-03-28New carbon allotropes in sp + sp(3) bonding networks consisting of C-8 cubesWang, Jian-Tao; Chen, Changfeng; Mizuseki, Hiroshi; Kawazoe, Yoshiyuki
2016-05Simultaneously Controllable Doping Sites and the Activity of a W-N Codoped TiO2 PhotocatalystChoi, Heechae; Shin, Dongbin; Yeo, Byung Chul; Song, Taeseup; Han, Sang Soo; Park, Noejung; Kim, Seungchul
2013-10Thermodynamic stability of various phases of zinc tin oxides from ab initio calculationsLee, Joohwi; Lee, Seung-Cheol; Hwang, Cheol Seong; Choi, Jung-Hae

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