Metallic VS2 Monolayer Polytypes as Potential Sodium-Ion Battery Anode via ab Initio Random Structure Searching DB Putungan, SH Lin, JL Kuo ACS applied materials & interfaces 8 (29), 18754-18762, 2016 | 178 | 2016 |
A first-principles examination of conducting monolayer 1T′-MX 2 (M= Mo, W; X= S, Se, Te): promising catalysts for hydrogen evolution reaction and its enhancement by strain DB Putungan, SH Lin, JL Kuo Physical Chemistry Chemical Physics 17 (33), 21702-21708, 2015 | 136 | 2015 |
Li adsorption, hydrogen storage and dissociation using monolayer MoS 2: an ab initio random structure searching approach DB Putungan, SH Lin, CM Wei, JL Kuo Physical Chemistry Chemical Physics 17 (17), 11367-11374, 2015 | 93 | 2015 |
Development of recycling strategy for large stacked systems: Experimental and machine learning approach to form reuse battery packs for secondary applications A Garg, L Yun, L Gao, DB Putungan Journal of Cleaner Production 275, 124152, 2020 | 70 | 2020 |
Two-dimensional MTe2 (M= Co, Fe, Mn, Sc, Ti) transition metal tellurides as sodium ion battery anode materials: Density functional theory calculations YX Li, DB Putungan, SH Lin Physics Letters A 382 (38), 2781-2786, 2018 | 29 | 2018 |
Room-temperature deposition of group III metals on Si (1 0 0): A comparative study of nucleation behavior MA Albao, CH Hsu, DB Putungan, FC Chuang Surface science 604 (3-4), 396-403, 2010 | 27 | 2010 |
First-principles investigation of the hydrogen evolution reaction on different surfaces of pyrites MnS 2, FeS 2, CoS 2, NiS 2 MH Wu, WJ Chou, JS Huang, DB Putungan, SH Lin Physical Chemistry Chemical Physics 21 (38), 21561-21567, 2019 | 24 | 2019 |
2D 1T′-MoS2-WS2 van der Waals heterostructure for hydrogen evolution reaction: dispersion-corrected density functional theory calculations JKA Obligacion, DB Putungan Materials Research Express 7 (7), 075506, 2020 | 16 | 2020 |
Structural and Electronic Properties of Monolayer 1T-MoS2 Phase, and Its Interaction with Water Adsorbed on Perfect, Single S-Vacated and MoS2-Unit-Vacated Surface: Density … DB Putungan, JL Kuo integrated ferroelectrics 156 (1), 93-100, 2014 | 16 | 2014 |
Graphene-hexagonal boron nitride van der Waals heterostructures: an examination of the effects of different van der Waals corrections JRM Sevilla, DB Putungan Materials Research Express 8 (8), 085601, 2021 | 14 | 2021 |
Methane adsorption on strained 1T′-MoS2 monolayer: insights from density functional theory calculations AB Santos-Putungan, DB Putungan Materials Research Express 6 (6), 065512, 2019 | 11 | 2019 |
Enhanced nucleation of Al islands on H-dosed Si (100)-2× 1 surface: A combined density functional theory and kinetic Monte Carlo study MA Albao, DB Putungan, CH Hsu, FC Chuang Surface science 617, 73-80, 2013 | 11 | 2013 |
Lithium and sodium intercalation in a 2D NbSe 2 bilayer-stacked homostructure: comparative study of ionic adsorption and diffusion behavior DB Putungan, JL Kuo Physical Chemistry Chemical Physics 23 (35), 19811-19818, 2021 | 9 | 2021 |
O-and OH-induced dopant segregation in single atom alloy surfaces: A combined density functional theory and machine learning study ANP Hipolito, MA Palmero, VZ Ordillo, K Shimizu, DB Putungan, ... Computational Materials Science 232, 112607, 2024 | 6 | 2024 |
A look into atomic carbon and oxygen adsorption on 1T′-MoS2 monolayer: density functional theory calculations DB Putungan, SH Lin Materials Research Express 4 (12), 125026, 2017 | 6 | 2017 |
Modeling of CO-deposition of indium and tin on silicon (100): A kinetic Monte Carlo study DB Putungan, HJ Ramos, FC Chuang, MA Albao International Journal of Modern Physics B 25 (14), 1889-1898, 2011 | 4 | 2011 |
Adsorption and diffusion properties of calcium ions at the van der Waals interface of NbSe2-graphene 2D heterostructure for multivalent battery applications: density functional … JBD Linganay, DB Putungan Materials Research Express 9 (9), 095506, 2022 | 3 | 2022 |
Two-Stage Feature Selection for Machine Learning-aided DFT-based Surface Reactivity Study on Single-Atom Alloys V Ordillo, K Shimizu, DB Putungan, AB Santos-Putungan, S Watanabe, ... Modelling and Simulation in Materials Science and Engineering, 2024 | 2 | 2024 |
Biaxial compressive strain enhances calcium binding and mobility on two-dimensional Sc 2 C: a density functional theory investigation DB Putungan, CLT Llemit, AB Santos-Putungan, RV Sarmago, R Gebauer Physical Chemistry Chemical Physics 26 (5), 4298-4305, 2024 | 2 | 2024 |
Prediction of sodium binding energy on 2D VS 2 via machine learning: a robust accompanying method to ab initio random structure searching DB Putungan, S Su, L Gao, A Goyal, SH Lin, A Garg Physical Chemistry Chemical Physics 25 (21), 15008-15014, 2023 | 2 | 2023 |