A. Ebrahimzadeh

most citedFirst Principles Study of Photocatalytic Water Splitting by M

_{1}

_{2}

_{2}

_{1}

= Zr,Hf; M

_{2}

= Hf,Ti,Sc) MXenes

1 citations · 1 across the 1 of their papers we have counts for

collaborators

1 paper

cond-mat.mtrl-sci2023★ 1 cited

First Principles Study of Photocatalytic Water Splitting by M $_{1}$ M $_{2}$ CO $_{2}$ (M $_{1}$ = Zr,Hf; M $_{2}$ = Hf,Ti,Sc) MXenes

Sima Rastegar, Alireza Rastkar Ebrahimzadeh, Jaber Jahanbin Sardroodi

Using density functional theory (DFT), we investigated the structural, electronic and optical properties of functionalized and doped MXenes such as M $_{1}$ M $_{2}$ CO $_{2}$ (M $_{1}$ = Zr,Hf;…

First Principles Study of Photocatalytic Water Splitting by M1​M2​CO2​ (M1​ = Zr,Hf; M2​ = Hf,Ti,Sc) MXenes

First Principles Study of Photocatalytic Water Splitting by M $_{1}$ M $_{2}$ CO $_{2}$ (M $_{1}$ = Zr,Hf; M $_{2}$ = Hf,Ti,Sc) MXenes