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DFT-based insight into the magnetic and thermoelectric characteristics ofXTaO(3)(X = Rb, Fr) ternary perovskite oxides for optoelectronic applications Hussain MI, Khalil RMA, Hussain F, Rana AM International Journal of Energy Research, 45(2), 2753, 2021 |
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Anatase versus Triphasic TiO2: Near-identical synthesis and comparative structure-sensitive photocatalytic degradation of methylene blue and 4-chlorophenol Balapure A, Ganesan R Journal of Colloid and Interface Science, 581, 205, 2021 |
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Interaction of PEO with LiI/NaI: a density functional approach Rao BK, Singh R, Verma ML Polymer Bulletin, 78(3), 1441, 2021 |
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Influence of the adsorption of CO on the electronic structure of platinum clusters and nanowires deposited on CeO2(111) and gamma-Al2O3(001) surfaces Koleva IZ, Aleksandrov HA, Vayssilov GN Catalysis Today, 357, 442, 2020 |
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A theoretical first principles computational investigation into the potential of aluminum-doped boron nitride nanotubes for hydrogen storage Noura M, Rahdar A, Taimoory SM, Hayward JJ, Sadraei SI, Trant JF International Journal of Hydrogen Energy, 45(19), 11176, 2020 |
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Properties of materials for resistive RAM based on HfO2(first principles calculations) Balabai RM, Zalevskyi DV Molecular Crystals and Liquid Crystals, 700(1), 95, 2020 |
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Properties of materials for resistive RAM based on HfO2(first principles calculations) Balabai RM, Zalevskyi DV Molecular Crystals and Liquid Crystals, 700(1), 95, 2020 |
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Radiative decay time as a function of temperature in double GaAs quantum rings Kim H, Kim JS, Kim I Applied Surface Science, 478, 487, 2019 |
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MnO2 polymorph selection for non-enzymatic glucose detection: An integrated experimental and density functional theory investigation Ponnusamy R, Venkatesan R, Kandasamy M, Chakraborty B, Rout CS Applied Surface Science, 487, 1033, 2019 |
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First-principles study of defects in amorphous-SiO2/Si interfaces Li P, Chen ZH, Yao P, Zhang FJ, Wang JW, Song Y, Zuo X Applied Surface Science, 483, 231, 2019 |