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Accelerating CO2 reduction on novel double perovskite oxide with sulfur, carbon incorporation: Synergistic electronic and chemical engineering 期刊论文
CHEMICAL ENGINEERING JOURNAL, 2022, 卷号: 446, 页码: 11
Authors:  Raziq, Fazal;  Khan, Khakemin;  Ali, Sajjad;  Ali, Sharafat;  Xu, Hu;  Ali, Ijaz;  Zada, Amir;  Ismail, Pir Muhammad;  Ali, Asad;  Khan, Habib;  Wu, Xiaoqiang;  Kong, Qingquan;  Zahoor, Muhammad;  Xiao, Haiyan;  Zu, Xiaotao;  Li, Sean;  Qiao, Liang
Favorite  |  View/Download：70/0  |  Submit date：2022/07/14
CO 2 conversion  Chemical engineering  Electronic engineering  Novel double perovskite  Density functional theory  
Antioxidant, Antimicrobial, and Photocatalytic Potential of Cobalt Fluoride (CoF2) Nanoparticles 期刊论文
ADSORPTION SCIENCE & TECHNOLOGY, 2022, 卷号: 2022, 页码: 6
Authors:  Khan, Jamshid;  Ullah, Hameed;  Ullah, Riaz;  Sajjad, Muhammad;  Thebo, Khalid Hussain;  Alotaibi, Amal;  Zahoor, Muhammad;  Bukhari, Nadia;  Murthy, H. C. Ananda
Favorite  |  View/Download：64/0  |  Submit date：2022/07/14
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
Authors:  Ali, Sajjad;  Iqbal, Rashid;  Khan, Azim;  Rehman, Shafiq Ur;  Haneef, Muhammad;  Yin, Lichang
Favorite  |  View/Download：85/0  |  Submit date：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
Authors:  Ali, Sajjad;  Haneef, Muhammad;  Akbar, Jehan;  Ullah, Izaz;  Ullah, Sami;  Samad, Abdus
Favorite  |  View/Download：93/0  |  Submit date：2021/11/22
Defects  hexagonal boron nitride  single Au catalyst  acetylene hydrochlorination  DFT  
The catalytic performance of metal-free defected carbon catalyst towards acetylene hydrochlorination revealed from first-principles calculation 期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2020, 页码: 8
Authors:  Ali, Sajjad;  Khan, Muhammad Baber Azam;  Khan, Said Alam;  Noora
Favorite  |  View/Download：109/0  |  Submit date：2021/02/02
acetylene hydrochlorination  defected carbon  density functional theory  metal-free catalyst  
Theoretical investigation of optoelectronic and magnetic properties of Co-doped ZnS and (Al, Co) co-doped ZnS 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2020, 卷号: 174, 页码: 8
Authors:  Khan, Muhammad Sheraz;  Shi, Lijie;  Zou, Bingsuo;  Ali, Sajjad
Favorite  |  View/Download：86/0  |  Submit date：2021/02/02
Dilute magnetic conductor  Semiconductor  Ferromagnetism  Spintronic  Optical properties  
Optoelectronic and magnetic properties of Mn-doped and Mn-C co-doped Wurtzite ZnS: a first-principles study 期刊论文
JOURNAL OF PHYSICS-CONDENSED MATTER, 2019, 卷号: 31, 期号: 39, 页码: 13
Authors:  Khan, Muhammad Sheraz;  Shi, Lijie;  Yang, Xiongtao;  Ali, Sajjad;  Ullah, Hamid;  Zou, Bingsuo
Favorite  |  View/Download：87/0  |  Submit date：2021/02/02
semiconductor  dilute magnetic semiconductors  half-metal  spintronic  optical properties  
Optoelectronic and magnetic properties of Mn-doped and Mn–C co-doped Wurtzite ZnS: a first-principles study 期刊论文
Journal of Physics: Condensed Matter, 2019, 卷号: 31, 期号: 39
Authors:  Khan,Muhammad Sheraz;  Shi,Lijie;  Yang,Xiongtao;  Ali,Sajjad;  Ullah,Hamid;  Zou,Bingsuo
Favorite  |  View/Download：143/0  |  Submit date：2021/02/02
semiconductor  dilute magnetic semiconductors  half-metal  spintronic  optical properties