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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:18/0  |  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:12/0  |  Submit date:2021/11/22
Defects  hexagonal boron nitride  single Au catalyst  acetylene hydrochlorination  DFT  
Density Functional Theory Study of a Graphdiyne-Supported Single Au Atom Catalyst for Highly Efficient Acetylene Hydrochlorination 期刊论文
ACS APPLIED NANO MATERIALS, 2021, 卷号: 4, 期号: 6, 页码: 6152-6159
Authors:  Ali, Sajjad;  Lian, Zan;  Li, Bo
Favorite  |  View/Download:17/0  |  Submit date:2021/10/15
single-atom catalyst  graphdiyne  acetylene hydrochlorination  reaction mechanism  density functional theory  
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:31/0  |  Submit date:2021/02/02
acetylene hydrochlorination  defected carbon  density functional theory  metal-free catalyst  
Scaling law for strain dependence of Raman spectra in transition-metal dichalcogenides 期刊论文
JOURNAL OF RAMAN SPECTROSCOPY, 2020, 卷号: 51, 期号: 8, 页码: 9
Authors:  Zhang, Ye;  Guo, Huaihong;  Sun, Wei;  Sun, Hongzhi;  Ali, Sajjad;  Zhang, Zhidong;  Saito, Riichiro;  Yang, Teng
Favorite  |  View/Download:35/0  |  Submit date:2021/02/02
intensity dip  Raman intensity  scaling  strain effect  TMDC  
Scaling law for strain dependence of Raman spectra in transition-metal dichalcogenides 期刊论文
JOURNAL OF RAMAN SPECTROSCOPY, 2020, 页码: 9
Authors:  Zhang, Ye;  Guo, Huaihong;  Sun, Wei;  Sun, Hongzhi;  Ali, Sajjad;  Zhang, Zhidong;  Saito, Riichiro;  Yang, Teng
Favorite  |  View/Download:21/0  |  Submit date:2021/02/02
intensity dip  Raman intensity  scaling  strain effect  TMDC  
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:28/0  |  Submit date:2021/02/02
Dilute magnetic conductor  Semiconductor  Ferromagnetism  Spintronic  Optical properties  
Single Au Anion Can Catalyze Acetylene Hydrochlorination: Tunable Catalytic Performance from Rational Doping 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2019, 卷号: 123, 期号: 48, 页码: 29203-29208
Authors:  Ali, Sajjad;  Olanrele, Samson;  Liu, TianFu;  Lian, Zan;  Si, Chaowei;  Yang, Min;  Li, Bo
Favorite  |  View/Download:26/0  |  Submit date:2021/02/02
Single Au Anion Can Catalyze Acetylene Hydrochlorination: Tunable Catalytic Performance from Rational Doping 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2019, 卷号: 123, 期号: 48, 页码: 29203-29208
Authors:  Ali, Sajjad;  Olanrele, Samson;  Liu, TianFu;  Lian, Zan;  Si, Chaowei;  Yang, Min;  Li, Bo
Favorite  |  View/Download:32/0  |  Submit date:2021/02/02
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:25/0  |  Submit date:2021/02/02
semiconductor  dilute magnetic semiconductors  half-metal  spintronic  optical properties