2019 journal article
Graphene oxide model with desirable structural and chemical properties
CARBON, 143, 566–577.
2016 journal article
Effect of confinement in nano-porous materials on the solubility of a supercritical gas
Molecular Physics, 114(22), 3294–3306.
2013 journal article
Controllable atomistic graphene oxide model and its application in hydrogen sulfide removal
The Journal of Chemical Physics, 139(19), 194707.
2013 journal article
Reactive adsorption of ammonia and ammonia/water on CuBTC metal-organic framework: A ReaxFF molecular dynamics simulation
JOURNAL OF CHEMICAL PHYSICS, 138(3).
2012 journal article
ReaxFF molecular dynamics simulation of thermal stability of a Cu3(BTC)2 metal–organic framework
Physical Chemistry Chemical Physics, 14(32), 11327.
2011 journal article
Novel ice structures in carbon nanopores: pressure enhancement effect of confinement
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 13(19), 9008–9013.
2011 journal article
Toward Understanding Reactive Adsorption of Ammonia on Cu-MOF/Graphite Oxide Nanocomposites
LANGMUIR, 27(21), 13043–13051.
2010 journal article
Melting Behavior of Bromobenzene within Carbon Nanotubes
JOURNAL OF CHEMICAL AND ENGINEERING DATA, 55(10), 4183–4189.
