| First-principles study on hydrogen adsorption on nitrogen doped graphene R Muhammad, Y Shuai, HP Tan Physica E: Low-dimensional Systems and Nanostructures 88, 115-124, 2017 | 80 | 2017 |
| A first-principles study on alkaline earth metal atom substituted monolayer boron nitride (BN) R Muhammad, Y Shuai, HP Tan Journal of Materials Chemistry C 5 (32), 8112-8127, 2017 | 64 | 2017 |
| Manipulating intrinsic behaviors of graphene by substituting alkaline earth metal atoms in its structure M Rafique, Y Shuai, HP Tan, M Hassan RSC advances 7 (27), 16360-16370, 2017 | 54 | 2017 |
| Theoretical perspective on structural, electronic and magnetic properties of 3d metal tetraoxide clusters embedded into single and di-vacancy graphene M Rafique, Y Shuai, HP Tan, H Muhammad Applied Surface Science 408, 21-33, 2017 | 40 | 2017 |
| Ab-initio investigations on the physical properties of 3d and 5d transition metal atom substituted divacancy monolayer h-BN R Muhammad, MA Uqaili, Y Shuai, MA Mahar, I Ahmed Applied Surface Science 458, 145-156, 2018 | 33 | 2018 |
| First-principles study on silicon atom doped monolayer graphene M Rafique, Y Shuai, N Hussain Physica E: Low-dimensional Systems and Nanostructures 95, 94-101, 2018 | 32 | 2018 |
| Structural, electronic and magnetic properties of 3d metal trioxide clusters-doped monolayer graphene: a first-principles study M Rafique, Y Shuai, HP Tan, M Hassan Applied Surface Science 399, 20-31, 2017 | 31 | 2017 |
| Tailoring electronic and optical parameters of bilayer graphene through boron and nitrogen atom co-substitution; an ab-initio study M Rafique, Y Shuai, I Ahmed, R Shaikh, MA Tunio Applied Surface Science 480, 463-471, 2019 | 30 | 2019 |
| Ab-initio investigations on titanium (Ti) atom-doped divacancy monolayer h-BN system for hydrogen storage systems M Rafique, MA Uqaili, NH Mirjat, MA Tunio, Y Shuai Physica E: Low-dimensional Systems and Nanostructures 109, 169-178, 2019 | 30 | 2019 |
| Numerical investigation of solid circulation flux in an internally circulating fluidized bed with different gas distributor designs M Hassan, MP Schwarz, F Yuqing, M Rafique, P Witt, L Huilin Powder Technology 301, 1103-1111, 2016 | 30 | 2016 |
| Ab-initio investigations on physisorption of alkaline earth metal atoms on monolayer hexagonal boron nitride (h-BN) M Rafique, MA Unar, I Ahmed, AR Chachar, Y Shuai Journal of Physics and Chemistry of Solids 118, 114-125, 2018 | 29 | 2018 |
| Detection of toxicity in some oral antidiabetic drugs using LIBS and LA-TOF-MS N Ahmed, U Liaqat, M Rafique, MA Baig, W Tawfik Microchemical Journal 155, 104679, 2020 | 28 | 2020 |
| Manipulation of inherent characteristics of graphene through N and Mg atom co-doping; a DFT study M Rafique, NH Mirjat, AM Soomro, S Khokhar, Y Shuai Physics Letters A 382 (16), 1108-1119, 2018 | 28 | 2018 |
| Highly sensitive work function type room temperature gas sensor based on Ti doped hBN monolayer for sensing CO 2, CO, H 2 S, HF and NO. A DFT study BA Kalwar, W Fangzong, AM Soomro, MR Naich, MH Saeed, I Ahmed RSC advances 12 (53), 34185-34199, 2022 | 15 | 2022 |
| First-principles investigations of manganese oxide (MnO x) complex-sandwiched bilayer graphene systems R Muhammad, Y Shuai, A Irfan, T He-Ping RSC advances 8 (42), 23688-23697, 2018 | 15 | 2018 |
| Hydrogen storage on flat land materials, opportunities, and challenges: a review study K Fatima, AM Soomro, M Rafique, M Kumar Journal of the Chinese Chemical Society 69 (4), 663-680, 2022 | 13 | 2022 |
| Ab initio calculations for structural, electronic and magnetic behaviors of nitrogenized monolayer graphene decorated with 5d transition metal atoms M Rafique, Y Shuai, M Xu, G Zhang, Y Guo Physica E: Low-dimensional Systems and Nanostructures 93, 26-38, 2017 | 11 | 2017 |
| Structural, electronic and optical properties of CO adsorbed on the defective anatase TiO2 (101) surface; a DFT study M Rafique, Y Shuai, M Hassan Journal of Molecular Structure 1142, 11-17, 2017 | 9 | 2017 |
| First-principles study of electronic and optical properties of boron and nitrogen doped graphene R Muhammad, Y Shuai, T He-Ping AIP Conference Proceedings 1846 (1), 2017 | 7 | 2017 |
| Enhanced storage capacity of hydrogen based on Li-decorated 2D BC6N under ambient conditions: First-principles study BA Kalwar, W Fangzong, M Rafique, AM Soomro, Z Ahmed, I Ahmed Computational Materials Science 231, 112621, 2024 | 6 | 2024 |
Yong Shuai (帅永)Professor of Energy Science and Engineering,Harbin Institute of Technology在 hit.edu.cn 的电子邮件经过验证
