Quantitative Modeling of MoS 2 –Solvent Interfaces: Predicting Contact Angles and Exfoliation Performance using Molecular Dynamics
Journal Article
·
· Journal of Physical Chemistry. C
- Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States
- Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States; Institut de Chimie de Clermont-Ferrand, Université Blaise Pascal and CNRS, 63178 Aubiére, France
Not provided.
- Research Organization:
- Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC)
- DOE Contract Number:
- FG02-08ER46488
- OSTI ID:
- 1534661
- Journal Information:
- Journal of Physical Chemistry. C, Vol. 121, Issue 16; ISSN 1932-7447
- Publisher:
- American Chemical Society
- Country of Publication:
- United States
- Language:
- English
Similar Records
Investigation of chemical stabilities and contact angle of 3D printed polymers with CO2 capture solvents to enhance absorber performance
Modeling the aqueous interface of amorphous TiO2 using deep potential molecular dynamics
Molecular Simulation of MoS2 Exfoliation
Journal Article
·
Thu Oct 07 00:00:00 EDT 2021
· International Journal of Greenhouse Gas Control
·
OSTI ID:1534661
+3 more
Modeling the aqueous interface of amorphous TiO2 using deep potential molecular dynamics
Journal Article
·
Mon Jul 10 00:00:00 EDT 2023
· Journal of Chemical Physics
·
OSTI ID:1534661
Molecular Simulation of MoS2 Exfoliation
Journal Article
·
Tue Nov 13 00:00:00 EST 2018
· Scientific Reports
·
OSTI ID:1534661
+4 more