国家/地区 Usa（38）
关键词 DFT（38）
出版物 ACS APPLIED MATERIA.（3） ACS NANO（3） APPLIED SURFACE SCI.（3）
2D MATERIALS（2） NANO LETTERS（2）
出版时间 2012（5） 2022（5） 2014（4） 2020（4） 2023（4） 2016（3） 2018（3） 2019（3） 2021（3）
机构 VILLANOVA UN.（4）
作者 RANKIN RB（4） LOZANO T（3） AGHAEI SM（2） JANG SS（2）
KAXIRAS E（2） MOHAMMED MH（2） WANG WL（2）

Theoretical prediction of delivery and adsorption of various anticancer drugs into pristine and metal-doped graphene nanosheet

CHINESE JOURNAL OF PHYSICS

MOHAMMED MH, HANOON FH

Synthesis of Holey Graphene Nanoparticle Compounds

ACS APPLIED MATERIALS INTERFACES

WHITE DL, LYSTROM L, HE XY, BURKERT SC, KILIN DS, KILINA S, STAR A

Impact of Surface Modification on the Lithium, Sodium, and Potassium Intercalation Efficiency and Capacity of Few-Layer Graphene Electrodes

ACS APPLIED MATERIALS INTERFACES

NIJAMUDHEEN A, SARBAPALLI D, HUI J, RODRIGUEZLOPEZ J, MENDOZACORTES JL

Comparing the oxygen reduction reaction on selectively edge halogen doped graphene from quantum mechanics

JOURNAL OF CATALYSIS

HUMPHREY N, RODRIGUEZ R, ARIAS G, THAI E, MURO E, MERINOV BV, GODDARD WA, YU TH

Size, Composition, and Support-Doping Effects on Oxygen Reduction Activity of Platinum-Alloy and on Non-platinum Metal-Decorated-Graphene Nanocatalysts

FRONTIERS IN CHEMISTRY

LOZANO T, RANKIN RB

Graphene Supported Tungsten Carbide as Catalyst for Electrochemical Reduction of CO2

CATALYSTS

ANANTHANENI S, SMITH Z, RANKIN RB

Adsorption Energy Shifts for Oxygen and Hydroxyl on 4-atom Metal-Decorated Graphene Catalysts Via Solvation, pH, and Substrate Dopants: Effects on ORR Activity

METALS

RANKIN RB, LOZANO T

Reverse-engineering of graphene on metal surfaces: a case study of embedded ruthenium

NANOTECHNOLOGY

LIIROSALES A, HAN Y, YU KM, JING DP, ANDERSON N, VAKNIN D, TRINGIDES MC, EVANS JW, ALTMAN MS, THIEL PA

Computational predictive design for metal-decorated-graphene size-specific subnanometer to nanometer ORR catalysts

CATALYSIS TODAY

LOZANO T, RANKIN RB

DFT study of adsorption behavior of NO, CO, NO2, and NH3 molecules on graphene-like BC3: A search for highly sensitive molecular sensor

APPLIED SURFACE SCIENCE

AGHAEI SM, MONSHI MM, TORRES I, ZEIDI SMJ, CALIZO I