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- [1] Tuning the Schottky Barrier at the Graphene/MoS2 Interface by Electron Doping: Density Functional Theory and Many-Body CalculationsJOURNAL OF PHYSICAL CHEMISTRY C, 2015, 119 (34): : 19928 - 19933Jin, ChengjunRasmussen, Filip A.Thygesen, Kristian S.
- [2] Density functional theory-projected local density of states-based estimation of Schottky barrier for monolayer MoS2JOURNAL OF APPLIED PHYSICS, 2018, 124 (01)Gao, JunsenNandi, DipanjanGupta, Manisha
- [3] Investigation for Thermoelectric Properties of the MoS2 Monolayer- Graphene Heterostructure: Density Functional Theory Calculations and Electrical Transport MeasurementsACS OMEGA, 2021, 6 (01): : 278 - 283Kim, SujeeLee, ChanghoonLim, Young SooShim, Ji-Hoon
- [4] Tuning the activity of the inert MoS2 surface via graphene oxide support doping towards chemical functionalization and hydrogen evolution: a density functional studyPHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 20 (03) : 1861 - 1871Tang, ShaobinWu, WeihuaZhang, ShiyongYe, DongnaiZhong, PingLi, XiaokangLiu, LiangxianLi, Ya-Fei
- [5] Nature of Alkali Ion-Water Interactions: Insights from Many-Body Representations and Density Functional Theory. II (vol 16, pg 3055, 2020)JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2020, 16 (08) : 5422 - 5424Egan, Colin K.Bizzarro, Brandon B.Riera, MarcPaesani, Francesco
- [6] Excited electron dynamics in the interface of 2H-1T hetero-phases of monolayer MoS2: time-dependent density functional theory studyJournal of the Korean Physical Society, 2021, 78 : 1203 - 1207Min ChoiNoejung Park
- [8] Solid Oganesson via a Many-Body Interaction Expansion Based on Relativistic Coupled-Cluster Theory and from Plane-Wave Relativistic Density Functional Theory (vol 123, pg 4201, 2019)JOURNAL OF PHYSICAL CHEMISTRY A, 2019, 123 (38): : 8333 - 8333Jerabek, PaulSmits, Odile R.Mewes, Jan-MichaelPeterson, Kirk A.Schwerdtfeger, Peter
- [9] Molecular-Level Details about Liquid H2O Interactions with CO and Sugar Alcohol Adsorbates on Pt(111) Calculated Using Density Functional Theory and Molecular Dynamics (vol 119, pg 13642, 2015)JOURNAL OF PHYSICAL CHEMISTRY C, 2016, 120 (01): : 801 - 801Bodenschatz, Cameron J.Sarupria, SapnaGetman, Rachel B.