TY  - JOUR 
AU  - Rozas Azcona, Sara
AU  - Gennari, Fabiana C.
AU  - Atilhan, Mert
AU  - Bol Arreba, Alfredo
AU  - Aparicio Martínez, Santiago
PY  - 2024
SN  - 2755-2608
UR  - http://hdl.handle.net/10259/9502
AB  - This work presents a theoretical investigation of carbon dioxide (CO2) adsorption on MgH2 and its reaction (chemisorption) with cobalt doped MgH2. The focus of this study is the properties and mechanisms involved in CO2 adsorption on clean MgH2...
LA  - eng
PB  - Royal Society of Chemistry
KW  - DFT
KW  - CO2 conversation
KW  - Cobalt catalyst
KW  - Charge transfer
KW  - Física
KW  - Physics
KW  - Química física
KW  - Chemistry, Physical and theoretical
TI  - Theoretical investigation of carbon dioxide adsorption on MgH2 with a cobalt catalyst
DO  - 10.1039/D3IM00096F
T2  - Industrial Chemistry & Materials
ER  -