| 1 |
Dynamic Monte Carlo simulations of the reaction mechanism of hydrogen production from formic acid on Ni(100)
Rafiee M, Bashiri H
Applied Surface Science, 475, 720, 2019 |
| 2 |
A new methodology to calculate process rates in a kinetic Monte Carlo model of PAH growth
Leon G, Eaves N, Akroyd J, Mosbach S, Kraft M
Combustion and Flame, 209, 133, 2019 |
| 3 |
An efficient kinetic Monte Carlo scheme for computing Helmholtz free energy and entropy in bulk fluids and adsorption systems
Tan SL, Do DD, Nicholson D
Chemical Engineering Journal, 334, 1410, 2018 |
| 4 |
CO adsorption on W(100) during temperature-programmed desorption: A combined density functional theory and kinetic Monte Carlo study
Albao MA, Padama AAB
Applied Surface Science, 396, 1282, 2017 |
| 5 |
Simulation study of temperature-dependent diffusion behaviors of Ag/Ag(001) at low substrate temperature
Cai DY, Mo YJ, Feng XF, He YY, Jiang SJ
Applied Surface Science, 406, 277, 2017 |
| 6 |
Kinetic Monte Carlo study on the evolution of silicon surface roughness under hydrogen thermal treatment
Wang G, Wang Y, Wang JZ, Pan LJ, Yu LW, Zheng YD, Shi Y
Applied Surface Science, 414, 361, 2017 |
| 7 |
A computation study on the interplay between surface morphology and electrochemical performance of patterned thin film electrodes for Li-ion batteries
Gur S, Frantziskonis GN, Aifantis KE
Journal of Power Sources, 360, 504, 2017 |
| 8 |
Unusual properties of a model of an intergrain boundary in solid oxide ceramic electrolytes
Bokun GS, Groda YG, Lasovsky RN, Vikhrenko VS
Solid State Ionics, 302, 25, 2017 |
| 9 |
Partial oxidation of methane on a nickel catalyst: Kinetic Monte-Carlo simulation study
Pruksawan S, Kitiyanan B, Ziff RM
Chemical Engineering Science, 147, 128, 2016 |
| 10 |
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 |
