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Rajan, Arunkumar Chitteth and Mishra, Avanish and Satsangi, Swanti and Vaish, Rishabh and Mizuseki, Hiroshi and Lee, Kwang-Ryeol and Singh, Abhishek K (2018) Machine-Learning-Assisted Accurate Band Gap Predictions of Functionalized MXene. In: CHEMISTRY OF MATERIALS, 30 (12). pp. 4031-4038.
Mishra, Avanish and Srivastava, Pooja and Carreras, Abel and Tanaka, Isao and Mizuseki, Hiroshi and Lee, Kwang-Ryeol and Singh, Abhishek K (2017) Atomistic Origin of Phase Stability in Oxygen-Functionalized MXene: A Comparative Study. In: JOURNAL OF PHYSICAL CHEMISTRY C, 121 (34). pp. 18947-18953.
Das, Deya and Hardikar, Rahul P and Han, Sang Soo and Lee, Kwang-Ryeol and Singh, Abhishek K (2017) Monolayer BC2: an ultrahigh capacity anode material for Li ion batteries. In: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 19 (35). pp. 24230-24239.
Mishra, Avanish and Srivastava, Pooja and Mizuseki, Hiroshi and Lee, Kwang-Ryeol and Singh, Abhishek K (2016) Isolation of pristine MXene from Nb4AlC3 MAX phase: a first-principles study. In: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 18 (16). pp. 11073-11080.
Srivastava, Pooja and Mishra, Avanish and Mizuseki, Hiroshi and Lee, Kwang-Ryeol and Singh, Abhishek K (2016) Mechanistic Insight into the Chemical Exfoliation and Functionalization of Ti3C2 MXene. In: ACS APPLIED MATERIALS & INTERFACES, 8 (36). pp. 24256-24264.
Hardikar, Rahul P and Das, Deya and Han, Sang Soo and Lee, Kwang-Ryeol and Singh, Abhishek K (2014) Boron doped defective graphene as a potential anode material for Li-ion batteries. In: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 16 (31). pp. 16502-16508.
Das, Deya and Han, Sang Soo and Lee, Kwang-Ryeol and Singh, Abhishek K (2014) Pressure induced manifold enhancement of Li-kinetics in FCC fullerene. In: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 16 (39). pp. 21688-21693.
Das, Deya and Kim, Seungchul and Lee, Kwang-Ryeol and Singh, Abhishek K (2013) Li diffusion through doped and defected graphene. In: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 15 (36). pp. 15128-15134.