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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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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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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Non-regular hexagonal 2D carbon, an allotrope of graphene: a first-principles computational study von Iyakutti, K., Surya, V. J., Lakshmi, I., Rajeswarapalanichamy, R., Kawazoe, Y.

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Interaction of H, H 2 , and MgH 2 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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Hydrogen storage in TiO2 functionalized (10, 10) single walled carbon nanotube (SWCNT) – First principles study von Lavanya, R., Surya, V.J., Lakshmi, I., Iyakutti, K., Vasu, V., Mizuseki, H., Kawazoe, Y.

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Effect of surface doping on the band structure of graphene: a DFT study von Iyakutti, K., Kumar, E. Mathan, Lakshmi, I., Thapa, Ranjit, Rajeswarapalanichamy, R., Surya, V. J., Kawazoe, Y.

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Hydrogen storage in TiO sub(2) functionalized (10, 10) single walled carbon nanotube (SWCNT) - First principles study von Lavanya, R, Surya, V J, Lakshmi, I, Iyakutti, K, Vasu, V, Mizuseki, H, Kawazoe, Y

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Hydrogen storage in TiO2 functionalized (10, 10) single walled carbon nanotube (SWCNT) ― First principles study von LAVANYA, R, SURYA, V. J, LAKSHMI, I, IYAKUTTI, K, VASU, V, MIZUSEKI, H, KAWAZOE, Y

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