| 1 |
Ab-initio design of novel cathode material LiFeP1-xSixO4 for rechargeable Li-ion batteries
Yi S, Moon J, Cho M, Cho K
Electrochimica Acta, 313, 70, 2019 |
| 2 |
Gas sensing properties of organotitanium complex from first principles calculations and molecular dynamics simulations
Ingale N, Konda R, Chaudhari A
Chemical Physics Letters, 706, 247, 2018 |
| 3 |
Formation of carbon composite structures on the Ge(110) surfaces
Park K, Jeong S
Current Applied Physics, 18(1), 96, 2018 |
| 4 |
Ab initio study of sodium cointercalation with diglyme molecule into graphite
Yu CJ, Ri SB, Choe SH, Ri GC, Kye YH, Kim SC
Electrochimica Acta, 253, 589, 2017 |
| 5 |
Structural, electronic, elastic, vibrational and thermodynamic properties of ZrNi and ZrNiH3: A comprehensive study through first principles approach
Chattaraj D, Dash S, Majumder C
International Journal of Hydrogen Energy, 41(44), 20250, 2016 |
| 6 |
Ab initio and kinetic Monte Carlo study of lithium diffusion in LiSi, Li12Si7, Li13Si5 and Li15Si4
Moon J, Lee B, Cho M, Cho K
Journal of Power Sources, 328, 558, 2016 |
| 7 |
Extraction of Reactive Orange 107 dye from aqueous stream using Triton X-114 surfactant: Quantum chemical calculations and experiment
Arunagiri A, Priya K, Kalaichelvi P, Anantharaj R
Journal of Industrial and Engineering Chemistry, 20(4), 2409, 2014 |
| 8 |
Ab initio and kinetic Monte Carlo simulation study of lithiation in crystalline and amorphous silicon
Moon J, Lee B, Cho M, Cho K
Journal of Power Sources, 272, 1010, 2014 |
| 9 |
Environmentally induced H-bond transformation as a source of anil-type molecule specific solvatochromy
Olszowski A, Lewanowicz A, Dziekonski P, Sokalski WA, Leszczynski J
Molecular Crystals and Liquid Crystals, 427, 557, 2005 |
| 10 |
The Energetic and Electronic Properties of Atomic Hydrogen on MgO(001) Surface: Tight-Binding and Ab Initio Calculations
Suh SH, Min WK, Kim WC, Rho SB, Ahn WS, Ha KR, Lepadatu C, Chihaia V
Korean Journal of Chemical Engineering, 18(4), 512, 2001 |
