Gregorio H. Cocoletzi

A comprehensive investigation on electronic structure, optical and thermoelectric properties of the HfSSe Janus monolayer

D.M. Hoat, Mosayeb Naseri, Nguyen N. Hieu et al. · Journal of Physics and Chemistry of Solids · 2020 · 64 citations

Natural Sciences, Materials Science, Physics +17

GGA-based analysis of the metformin adsorption on BN nanotubes

Ernesto Chigo Anota, Gregorio H. Cocoletzi · Physica E Low-dimensional Systems and Nanostructures · 2013 · 62 citations

Natural Sciences, Chemistry, Materials Science +15

A DFT investigation: High-capacity hydrogen storage in metal-decorated doped germanene

Akari Narayama Sosa, Brandom J. Cid, Álvaro Miranda et al. · Journal of Energy Storage · 2023 · 55 citations

Natural Sciences, Materials Engineering, Materials Science +14

Studies of hydrogen sulfide and ammonia adsorption on P- and Si-doped graphene: density functional theory calculations

Víctor E. Comparán‐Padilla, María Teresa Romero de la Cruz, Yuliana Avila et al. · Journal of Molecular Modeling · 2019 · 53 citations

Natural Sciences, Materials Engineering, Materials Science +16

DFT studies of the phenol adsorption on boron nitride sheets

Jose Mario Galicia Hernández, Gregorio H. Cocoletzi, Ernesto Chigo Anota · Journal of Molecular Modeling · 2011 · 51 citations

Natural Sciences, Chemistry, Materials Science +16