国家/地区 China（4） Brazil（3） Turkiye（2）
关键词 DFT（3） GRAPHENE NANORIBBON（2）
出版物 JOURNAL OF MOLECULAR MODELING（12）
出版时间 2023（12）
机构
作者

Mechanical properties of hydrogenated psi-graphene

JOURNAL OF MOLECULAR MODELING

LIU LZ, JIAO L, HUANG XM

Novel octa-graphene-like structures based on GaP and GaAs

JOURNAL OF MOLECULAR MODELING

LARANJEIRA JAS, MARTINS NF, AZEVEDO SA, FABRIS GSL, SAMBRANO JR

Effect of ZnO dimers on the thermoelectric performance of armchair graphene nanoribbons

JOURNAL OF MOLECULAR MODELING

AJEEL FN, BEN AHMED A

Adsorption of ammonia on ZrOx-modified graphene nanoribbon: a first-principle investigation

JOURNAL OF MOLECULAR MODELING

AYESH AI, ELMURAIKHI MD

Ab initio study of water anchored in graphene pristine and vacancy-type defects

JOURNAL OF MOLECULAR MODELING

TONEL MZ, ABAL JPK, FAGAN SB, BARBOSA MC

CO2 adsorption enhancement and charge transfer characteristics for composite graphene doped with atoms at defect sites

JOURNAL OF MOLECULAR MODELING

YANG N, LIU ZY, ZHOU YL

Estimating hydroxyl/epoxy ratio in graphene oxide through adsorption experiment and semiempirical GFN2-xTB quantum method

JOURNAL OF MOLECULAR MODELING

SOUZA LCA, ABREU RVA, GUERREIRO MC, OLIVEIRA JE, ANCONI CPA

Nanoresonator vibrational behaviour analysis of single- and double-layer graphene with atomic vacancy and pinhole defects

JOURNAL OF MOLECULAR MODELING

MAKWANA M, PATEL AM

The Dynamic Nature of Graphene Active Sites in the H2O Gasification process: A ReaxFF and DFT Study

JOURNAL OF MOLECULAR MODELING

LIANG Z, LI KJ, GUO F, ZHANG H, BU YS, ZHANG JL

Molecular dynamics simulation and experimental investigation of mechanical properties of calcium carbonate and graphene reinforced polylactic acid nanocomposites

JOURNAL OF MOLECULAR MODELING

ZEHIR B, BOGA C, SEYEDZAVVAR M