613 Wallace Road
Ames, IA 50011-2063
United States
Iowa State University
modeling, Mesoporous silica, surface silanol groups, molecular dynamics
SiC-supported graphene, 2D materials and interface, Pb monolayer, guest atom intercalation thermodynamics and kinetics, vacancy-mediated diffusion, first-principles density functional theory calculations
transfer hydrodehalogenation, cerium oxide, Pd, haloaromatics, pesticides, emerging contaminants
epitaxially-supported metal nanoclustersnucleation & growth during vapor depositionpost-deposition coarseningatomistic-level stochastic modelingKinetic Monte Carlo simulation
supported Fe clusters, MoS2 substrate, SEM and AFM imaging, cluster growth models, DFT based interface energetics
Graphene on SiC(0001) substrate, Gd intercalation, Gd coverage dependence, First-principles DFT calculations, Thermodynamic stability, Scanning Tunneling Microscopy
nanoporous carbonnitrogen dopingmachine learningmoleculara dynamicsPXRD
ordered mesoporous carbon, Machine learning, molecular dynamics, Density functional theory, mesoporous silica
