Thermoelectric and phonon transport properties of two-dimensional IV–VI compounds A Shafique, YH Shin Scientific Reports 7 (1), 1-10, 2017 | 266 | 2017 |
Ultra low lattice thermal conductivity and high carrier mobility of monolayer SnS2 and SnSe2: a first principles study A Shafique, A Samad, YH Shin Physical Chemistry Chemical Physics, 2017 | 206 | 2017 |
Adsorption and diffusion of mono, di, and trivalent ions on two-dimensional TiS2 A Samad, A Shafique, YH Shin Nanotechnology 28 (17), 175401, 2017 | 148 | 2017 |
Strain engineering of phonon thermal transport properties in monolayer 2H-MoTe2 A Shafique, YH Shin Physical Chemistry Chemical Physics, 2017 | 91 | 2017 |
Two-dimensional penta-like PdPSe with a puckered pentagonal structure: a first-principles study A Bafekry, MM Fadlallah, M Faraji, A Shafique, HR Jappor, IA Sarsari, ... Physical Chemistry Chemical Physics 24 (17), 9990-9997, 2022 | 63 | 2022 |
Two-dimensional carbon nitride C6N nanosheet with egg-comb-like structure and electronic properties of a semimetal A Bafekry, M Shahrokhi, A Shafique, HR Jappor, F Shojaei, SAH Feghhi, ... Nanotechnology 32 (21), 215702, 2021 | 59 | 2021 |
Superionic and electronic conductivity in monolayer W 2 C: ab initio predictions A Samad, A Shafique, HJ Kim, YH Shin Journal of Materials Chemistry A 5 (22), 11094-11099, 2017 | 57 | 2017 |
Ab initio prediction of semiconductivity in a novel two-dimensional Sb2X3 (X= S, Se, Te) monolayers with orthorhombic structure A Bafekry, B Mortazavi, M Faraji, M Shahrokhi, A Shafique, HR Jappor, ... Scientific Reports 11 (1), 1-10, 2021 | 51 | 2021 |
Semiconducting chalcogenide alloys based on the (Ge, Sn, Pb)(S, Se, Te) formula with outstanding properties: a first-principles calculation study A Bafekry, M Shahrokhi, A Shafique, HR Jappor, MM Fadlallah, C Stampfl, ... ACS omega 6 (14), 9433-9441, 2021 | 48 | 2021 |
New lead‐free double perovskites X2GeI6 (X = K, Rb, Cs) for solar cells, and renewable energy as an alternate of hybrid perovskites TI Al‐Muhimeed, A Shafique, AA AlObaid, M Morsi, G Nazir, M AL‐Anazy, ... International Journal of Energy Research 45 (13), 19645-19652, 2021 | 38 | 2021 |
The effect of non-analytical corrections on the phononic thermal transport in InX (X=S,Se,Te) monolayers A Shafique, YH Shin Scientific Reports, 2020 | 34 | 2020 |
Ultrahigh and anisotropic thermal transport in the hybridized monolayer (BC2N) of boron nitride and graphene: A first-principles study A Shafique, YH Shin Physical Chemistry Chemical Physics, 2019 | 18 | 2019 |
Monolayer Ag2S: Ultra Low Lattice Thermal Conductivity and Excellent Thermoelectric Performance S Sharma, A Shafique, U Schwingenschlögl ACS Applied Energy Materials, 2020 | 17 | 2020 |
Lattice Instability and Ultralow Lattice Thermal Conductivity of Layered PbIF N Yedukondalu, A Shafique, SC Rakesh Roshan, M Barhoumi, ... ACS Applied Materials & Interfaces 14 (36), 40738-40748, 2022 | 11 | 2022 |
Enhanced out-of-plane electromechanical response of Janus ZrSeO TH Pham, H Ullah, A Shafique, HJ Kim, YH Shin Physical Chemistry Chemical Physics 23 (30), 16289-16295, 2021 | 10 | 2021 |
Multivalley band structure and phonon-glass behavior of TlAgTe A Shafique, S Sharma, M Sajjad, U Schwingenschlögl ACS Applied Energy Materials 4 (3), 2174-2180, 2021 | 6 | 2021 |
Excellent Thermoelectric Performance of the Metal Sulfide CuTaS3 A Shafique, H Aboushehada, A Samad, U Schwingenschlogl ACS Applied Energy Materials 5 (6), 7364-7370, 2022 | 5 | 2022 |
Monolayer, Bilayer, and Bulk BSi as Potential Anode Materials of Li‐Ion Batteries A Samad, A Shafique, U Schwingenschlögl, ZW Ji, G Luo ChemPhysChem 23 (10), e202200041, 2022 | 5 | 2022 |
Structural-Stability Study of Antiperovskite for -Rich Solid Electrolyte TL Pham, WI Choi, A Shafique, HJ Kim, M Shim, K Min, WJ Son, I Jang, ... Physical Review Applied 19 (3), 034004, 2023 | 4 | 2023 |
Investigating the role of oxygen vacancies in metal oxide for enhanced electrochemical reduction of NO 3− to NH 3: mechanistic insights S Ullah, S Wang, MS Ahmad, HMA Sharif, Q Liu, T Kida, A Shafique, ... Inorganic Chemistry Frontiers 10 (22), 6440-6488, 2023 | 4 | 2023 |