Research & Publication

Multiscale Materials Modeling Laboratory

[81] Computational predictions of stable phase for antiperovskite Na3OCl via tilting of Na6O octahedra

Journal of Applied Physics
124 (16), 164106 (2018)
2018-10-29
Thi Thanh Tan Lien
Young-Han Shin

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[80] H2S adsorption process on (0001) alpha-quartz SiO2 surfaces

Journal of Applied Physics
124 (11), 115301 (2018)
2018-09-17
Hye Jung Kim
Young-Han Shin

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[79] Influences of vacancy and doping on electronic and magnetic properties of monolayer SnS

Journal of Applied Physics
124 (6), 065102 (2018)
2018-08-09
Hamid Ullah
Young-Han Shin

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[78] Switchable Polarization in Mn Embedded Graphene

Scientific Reports
8, 4538 (2018)
2018-08-09
Mohammad Noor-A-Alam
Young-Han Shin

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[77] Strain engineering of phonon thermal transport properties in monolayer 2H-MoTe2

Physical Chemistry Chemical Physics
19 (47), 32072-32078 (2017)
2017-11-13
Aamir Shafique
Young-Han Shin

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[76] MoS2@VS2 Nanocomposite as a Superior Hybrid Anode Material

ACS Applied Materials & Interfaces
9 (35), 29942-29949 (2017)
2017-09-06
Abdus Samad
Young-Han Shin

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[75] Ultra low lattice thermal conductivity and high carrier mobility of monolayer SnS2 and SnSe2: a first principles study

Physical Chemistry Chemical Physics
19 (31), 20677-20683 (2017)
2017-08-21
Aamir Shafique
Young-Han Shin

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[74] Superionic and electronic conductivity in monolayer W2C: ab initio predictions

Journal of Materials Chemistry A
5 (22), 11094-11099 (2017)
2017-06-14
Abdus Samad
Abdus Samad

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[73] Adsorption and diffusion of mono, di, and trivalent ions on two-dimensional TiS2

Nanotechnology
28 (17), 175401 (2017)
2017-04-28
Abdus Samad
Young-Han Shin

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