Band gap engineering in halide cubic perovskites CsPbBr3−yIy (y = 0, 1, 2, 3) – A DFT study von Rajeswarapalanichamy, R., Amudhavalli, A., Padmavathy, R., Iyakutti, K.

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Bandgap and visible-light-induced photocatalytic performance and dye degradation of silver doped HAp/TiO2 nanocomposite by sol-gel method and its antimicrobial activity von Mariappan, A., Pandi, P., Rajeswarapalanichamy, R., Neyvasagam, K., Sureshkumar, Shanmugam, Gatasheh, Mansour K., Hatamleh, Ashraf Atef

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Investigation of optical properties of Zr2CoZ (Z=Al, Ga, In) full Heusler alloys von Amudhavalli, A., Dharmaraj, P., Manikandan, M., R, RajeswaraPalanichamy, Iyakutti, K.

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Half metallic ferromagnetism in Ni based half Heusler alloys von Amudhavalli, A., Rajeswarapalanichamy, R., Iyakutti, K.

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Structural, electronic, mechanical and magnetic properties of Mn based ferromagnetic half Heusler alloys: A first principles study von Amudhavalli, A., Rajeswarapalanichamy, R., Iyakutti, K.

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First principles study on Fe based ferromagnetic quaternary Heusler alloys von Amudhavalli, A., Rajeswarapalanichamy, R., Iyakutti, K.

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Computational study of van der Waals interaction at the sub‐nanometer scale and its influence on the molecular behavior under confinement conditions in graphene‐ 2D h‐BN heterostru... von Iyakutti, Kombiah, Surya, V. J., Lakshmi, Iyakutti, Rajeswarapalanichamy, R., Kawazoe, Y.

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Structural, electronic and mechanical properties of alkaline earth metal oxides MO (M=Be, Mg, Ca, Sr, Ba) von Cinthia, A. Jemmy, Priyanga, G. Sudha, Rajeswarapalanichamy, R., Iyakutti, K.

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18 and 12 – Member carbon rings (cyclo[n]carbons) – A density functional study von Iyakutti, K., Surya, V.J., Lakshmi, I., Rajeswarapalanichamy, R., Kawazoe, Y.

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Structural phase stability, electronic structure and mechanical properties of alkali metal hydrides AMH4 (A=Li, Na; M=B, AL) von Santhosh, M., Rajeswarapalanichamy, R.

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Electronic structure, magnetic and thermodynamic properties of yttrium based half Heusler alloys YXZ (X = Fe, Co, Cr; Z = As, Sb): A first principles study von Dharmaraj, P., Amudhavalli, A., Manikandan, M., R, RajeswaraPalanichamy, Iyakutti, K.

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Electronic and Magnetic Properties of Fe2−xCoxTiSi (x = 0, 0.5, 1, 1.5, 2) Heusler Alloys von Amudhavalli, A., Rajeswarapalanichamy, R., Iyakutti, K.

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First-principles study of structural and optoelectronic properties of CsSnI3−yFy (y = 0, 1, 2, 3) perovskites von Amudhavalli, A., Padmavathy, R., Rajeswarapalanichamy, R., Iyakutti, K.

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Structural, electronic and mechanical properties of AgIn1−XGaXS2 (X = 0, 0.25, 0.50, 0.75, 1) chalcogenides von Padmavathy, R., Amudhavalli, A., Rajeswarapalanichamy, R., Iyakutti, K.

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Interaction of H, H2, and MgH2 With Graphene and Possible Application to Hydrogen Storage—A Density Functional Computational Investigation von Iyakutti, K., Reji, Rence P., Ajaijawahar, K., Lakshmi, I., Rajeswarapalanichamy, R., Surya, V. J., Karthigeyan, A., Kawazoe, Y.

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First principles study of structural, elastic, electronic, magnetic and thermoelectric properties of ZrRhYZ (Y = Hf, La; Z = Al, Ga, In) quaternary Heusler alloys von Meenakshi, R., Srinivasan, R. Aram Senthil, Amudhavalli, A., RajeswaraPalanichamy, R., Iyakutti, K.

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Investigation of optoelectronic properties of AgIn1−xGaxY2 (Y = Se, Te) semiconductors von Padmavathy, R., Amudhavalli, A., Rajeswarapalanichamy, R., Iyakutti, K.

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Density functional study on electronic structure, magnetic and thermodynamic properties of YX′CrZ (X′ = Fe, Co; Z = As, Sb) quaternary Heusler alloys von Dharmaraj, P., Amudhavalli, A., Manikandan, M., Santhosh, M., RajeswaraPalanichamy, R., Iyakutti, K.

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Electronic and Magnetic Properties of Fe2−x Co x TiSi (x = 0, 0.5, 1, 1.5, 2) Heusler Alloys von Amudhavalli, A, Rajeswarapalanichamy, R, Iyakutti, K

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Electronic and Optical Properties of CsSnI3−yCly (y = 0, 1, 2, 3) Perovskites: a DFT Study von Padmavathy, R., Amudhavalli, A., Manikandan, M., Rajeswarapalanichamy, R., Iyakutti, K., Kushwaha, A. K.

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