Research & Publication

Multiscale Materials Modeling Laboratory

[97] Stabilization of 6H-Hexagonal SrMnO3 Polymorph by Al2O3 insertion

Journal of the European Ceramic Society
41 (10), 5155-5162 (2021)
2021-08-01
Muhammad Sheeraz
Tae Heon Kim

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[96] Resistive switching characteristics of epitaxial NiO thin films affected by lattice strains and external forces

Applied Surface Science
566 (15), 150685 (2021)
2021-07-20
Hyun Wook Shin
Jong Yeog Son, Young-Han Shin

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[95] Enhanced out-of-plane electromechanical response of Janus ZrSeO

Physical Chemistry Chemical Physics
23 (30), 16289-16295 (2021)
2021-06-30
Thi Hue Pham
Young-Han Shin

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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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