国家/地区 Bangladesh（7）
关键词 DFT（7）
出版物 APPLIED SURFACE SCI.（2）
出版时间 2022（4）
机构
作者 AHMED F（6） HOSSAIN MK（4） SHAMIM SUD（4） PIYA AA（3）
RAHMAN MS（3） ABUL HOSSAIN.（2） HASAN SM（2） ROY D（2）

Ab initiostudy of N-doped graphene oxide (NDGO) as a promising anode material for Li-ion rechargeable battery

MOLECULAR SIMULATION

SHAMIM SUD, HOSSAIN MK, HASAN SM, HOSSAIN A, AHMED F

Understanding Na-ion adsorption in nitrogen doped graphene oxide anode for rechargeable sodium ion batteries

APPLIED SURFACE SCIENCE

SHAMIM SUD, HOSSAIN MK, HASAN SM, PIYA AA, RAHMAN MS, ABUL HOSSAIN M, AHMED F

Doubly doped graphene as gas sensing materials for oxygen-containing gas molecules: A first-principles investigation

APPLIED SURFACE SCIENCE

SHAMIM SUD, ROY D, ALAM S, PIYA AA, RAHMAN MS, HOSSAIN MK, AHMED F

Probing the non-bonding interaction of small molecules with graphene oxide using DFT based vibrational circular dichroism

COMPUTATIONAL THEORETICAL CHEMISTRY

PATWARY MOF, RAHMAN MM, ISLAM MKB, ALI MA, HALIM MA, AHMED F

Exploring the adsorption performance of doped graphene quantum dots as anticancer drug carriers for cisplatin by DFT, PCM, and COSMO approaches

STRUCTURAL CHEMISTRY

MUNNY KN, AHMED T, PIYA AA, SHAMIM SUD

A first principle study to investigate structural, electronic and optical properties of pristine and valency comparable Co, P decorated graphene like boron nitride (BN) nanosheets

PHASE TRANSITIONS

MILON, HOSSAIN MK, ROY D, AHMED F

Adsorption behaviour of metronidazole drug molecule on the surface of hydrogenated graphene, boron nitride and boron carbide nanosheets in gaseous and aqueous medium: A comparative DFT and QTAIM insight

PHYSICA ELOWDIMENSIONAL SYSTEMS NANOSTRUCTURES

HOSSAIN MR, HASAN MM, NOOREASHRAFI, RAHMAN H, RAHMAN MS, AHMED F, FERDOUS T, ABUL HOSSAIN M