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Probing the role of silver and gold based double perovskite halide oxides for optoelectronic and photocatalytic applications 期刊论文
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING, 2025, 卷号: 190, 页码: 11
作者:  Rahman, Attaur;  Abid, Aqsa;  Haneef, Muhammad;  Amin, Bin;  Elmasry, Yasser
收藏  |  浏览/下载：2/0  |  提交时间：2025/04/27
Double perovskite halide oxides  Optoelectronic  Photocatalytic applications  Density functional theory  Mechanical properties  Direct band gap  
Intriguing optoelectronic and visible-light activated photocatalytic properties of 2D AlN/GaN and TMDCs (MX2; M = Mo/W, X = S/Se) monolayers and their bilayer vdWs heterostructures 期刊论文
EUROPEAN PHYSICAL JOURNAL PLUS, 2024, 卷号: 139, 期号: 11, 页码: 15
作者:  Abid, Aqsa;  Li, Bo;  Haneef, Muhammad;  Rahman, Attaur;  Elmasry, Yasser
收藏  |  浏览/下载：1/0  |  提交时间：2025/04/27
Stability and Catalytic Performance of Single-Atom Catalysts Supported on Doped and Defective Graphene for CO2 Hydrogenation to Formic Acid: A First-Principles Study 期刊论文
ACS APPLIED NANO MATERIALS, 2021, 卷号: 4, 期号: 7, 页码: 6893-6902
作者:  Ali, Sajjad;  Iqbal, Rashid;  Khan, Azim;  Rehman, Shafiq Ur;  Haneef, Muhammad;  Yin, Lichang
收藏  |  浏览/下载：138/0  |  提交时间：2021/10/15
single-atom catalysts  doped and defective carbon  CO2 hydrogenation  formic acid  density functional theory  
Single Au atom supported defect mediated boron nitride monolayer as an efficient catalyst for acetylene hydrochlorination: A first principles study 期刊论文
MOLECULAR CATALYSIS, 2021, 卷号: 511, 页码: 9
作者:  Ali, Sajjad;  Haneef, Muhammad;  Akbar, Jehan;  Ullah, Izaz;  Ullah, Sami;  Samad, Abdus
收藏  |  浏览/下载：143/0  |  提交时间：2021/11/22
Defects  hexagonal boron nitride  single Au catalyst  acetylene hydrochlorination  DFT