TY  - JOUR 
AU  - Rozas Azcona, Sara
AU  - Aguilar Cuesta, Nuria
AU  - Marcos Villa, Pedro A.
AU  - Bol Arreba, Alfredo
AU  - Aparicio Martínez, Santiago
PY  - 2026
SN  - 2452-2627
UR  - https://hdl.handle.net/10259/11717
AB  - A multiscale computational study was conducted to investigate graphene-supported thin films composed of a
natural deep eutectic solvent (NADES) formed by menthol and decanoic acid (MENTH:DA), with a focus on
applications in sustainable CO₂ capture....
LA  - eng
PB  - Elsevier
KW  - CO2 capture
KW  - Flue gas
KW  - Deep eutectic solvents
KW  - Thin films
KW  - Graphene
KW  - Quantum chemistry
KW  - Molecular dynamics
KW  - Química cuántica
KW  - Quantum chemistry
TI  - Molecular layering and CO₂ selectivity in graphene-supported natural deep eutectic solvent films: An in-silico investigation
DO  - 10.1016/j.flatc.2026.100995
T2  - FlatChem
VL  - 55
M2  - 100995
ER  -