TY  - JOUR 
AU  - Maritsa, Loukia
AU  - Martel Martín, Sonia
AU  - Barros García, Rocío
AU  - Bol Arreba, Alfredo
AU  - Aparicio Martínez, Santiago
PY  - 2021
SN  - 0167-7322
UR  - http://hdl.handle.net/10259/5678
AB  - A theoretical study considering Density Functional Theory and classical Molecular Dynamics simulations is reported on the study of the behavior of model poly-α-olefins base oils interacting with 2D MoS2 monolayers. 2D materials offer a promising route...
LA  - eng
PB  - Elsevier
KW  - Molybdenum disulfide
KW  - 2D materials
KW  - Liquid lubrication
KW  - olefin lubricants
KW  - Molecular modelling
KW  - Química física
KW  - Chemistry, Physical and theoretical
KW  - Física
KW  - Physics
TI  - Additivation of MoS2 nanosheets to synthetic poly-alpha-olefins base oils: A theoretical study of nanolubrication
DO  - 10.1016/j.molliq.2021.115881
T2  - Journal of Molecular Liquids
VL  - 332
M2  - 115881
ER  -