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The structural stability, lattice dynamics, electronic, thermophysical, and mechanical properties of the inverse perovskites A(3)OX: A comparative first-principles study Sattar MA, Javed M, Benkraouda M, Amrane N International Journal of Energy Research, 45(3), 4793, 2021 |
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Theoretical research on p-type doping two-dimensional GaN based on first-principles study Tian J, Liu L, Lu FF International Journal of Energy Research, 44(7), 6058, 2020 |
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The significance of anti-fluoriteCs(2)NbI(6)via its structural, electronic, magnetic, optical and thermoelectric properties Ullah R, Ali MA, Murtaza G, Mahmood A, Ramay SM International Journal of Energy Research, 44(13), 10179, 2020 |
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Improving desorption temperature and kinetic properties in MgH2 by vacancy defects: DFT study Bahou S, Labrim H, Lakhal M, Bhihi M, Hartiti B, Ez-Zahraouy H International Journal of Hydrogen Energy, 45(18), 10806, 2020 |
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Intrinsic defects, Mo-related defects, and complexes in transition-metal carbide VC: A first-principles study Guo J, Feng YL, Tang C, Ren XJ Journal of the American Ceramic Society, 103(12), 7226, 2020 |
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Initial stages of the epitaxial growth of MnN on the GaAs (001)-(2 x 2) surface: First-principle study Ponce-Perez R, de la Cruz MTR, Gutierrez-Ojeda SJ, Guerrero-Sanchez J, Varalda J, Cocoletzi GH Applied Surface Science, 489, 639, 2019 |
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Vacancy-mediated lithium adsorption and diffusion on MXene Wu H, Guo ZL, Zhou J, Sun ZM Applied Surface Science, 488, 578, 2019 |
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Manganese-germanium nanostructure formation on the GaAs (111)-(1 x 1) A surface: Stability and magnetic properties Gutierrez-Ojeda SJ, Guerrero-Sanchez J, Ponce-Perez R, Varalda J, Mosca DH, de la Garza LM, Gregorio HC Applied Surface Science, 491, 147, 2019 |
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Tuning the electronic structures of all-inorganic lead halide perovskite CsPbI3 via heterovalent doping: A first-principles investigation Chen YK, Jing HR, Ling FL, Kang W, Zhou TW, Liu XQ, Zeng W, Zhang YX, Qi L, Fang L, Zhou M Chemical Physics Letters, 722, 90, 2019 |
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Carbon emissions, energy use, real GDP per capita and trade matrix in the Indian economy-an ARDL approach Akalpler E, Hove S Energy, 168, 1081, 2019 |