Research & Publication

Multiscale Materials Modeling Laboratory

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[94] Effects of gallium and arsenic substitution on the electronic and magnetic properties of monolayer SnS
Physica Scripta
96 (9), 095803 (2021)
2021-05-31
Hamid Ullah
Hamid Ullah
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[93] Quantitative assessment of the structure of Ge20Te73I7 chalcohalide glass by first-principles molecular dynamics
Physical Review B
103 (9), 094204 (2021)
2021-03-29
Assil Bouzid
Guido Ori
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[92] Effect of Zn doping on electronic structure and optical properties zincblende GaN (A DFT + U insight)
Communications in Theoretical Physics
73 (3), 035701 (2021)
2021-03-01
Muhammad Junaid Iqbal Khan
Muhammad Junaid Iqbal Khan
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[91] Revealing the role of dopants in mitigating degradation phenomena in sodium-ion layered cathodes
Physical Chemistry Chemical Physics
23 (3), 2038-2045 (2021)
2021-01-20
Kyoungmin Min
Kyoungmin Min, Young-Han Shin
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[90] Highly ordered lead-free double perovskite halides by design
Journal of Materiomics
6 (4), 651-660 (2020)
2020-12-01
Chang Won Ahn
Tae Heon Kim
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[89] TiO2 Nanorod Array Conformally Coated with a Monolayer MoS2 Film: An Eļ¬ƒcient Electrocatalyst for Hydrogen Evolution Reaction
ACS Applied Energy Materials
3 (11), 10854-10862 (2020)
2020-11-03
Anh Duc Nguyen
Joon Ik Jang, Yong Soo Kim, Young-Han Shin
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[88] The effect of non-analytical corrections on the phononic thermal transport in InX (X = S, Se, Te) monolayers
Scientific Reports
10, 1093 (2020)
2020-01-23
Aamir Shafique
Young-Han Shin
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[87] Enhanced ferroelectricity in perovskite oxysulfides
Physical Review Materials
3 (8), 084405 (2019)
2019-08-09
Muhammad Sheeraz
Chang Won Ahn, Tae Heon Kim
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[86] Ultrahigh and anisotropic thermal transport in the hybridized monolayer (BC2N) of boron nitride and graphene: a first-principles study
Physical Chemistry Chemical Physics
21 (31), 17306 (2019)
2019-07-15
Aamir Shafique
Young-Han Shin
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