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Number of items: 12.

Journal Article

Swathilakshmi, S and Devi, R and Sai Gautam, G (2023) Performance of the r2SCAN Functional in Transition Metal Oxides. In: Journal of chemical theory and computation, 19 (13). pp. 4202-4215.

Kumar, J and Sai Gautam, G (2023) Study of pnictides for photovoltaic applications. In: Physical chemistry chemical physics : PCCP, 25 (13). pp. 9626-9635.

Barman, P and Jha, PK and Chaupatnaik, A and Jayanthi, K and Rao, RP and Sai Gautam, G and Franger, S and Navrotsky, A and Barpanda, P (2023) A new high voltage alluaudite sodium battery insertion material. In: Materials Today Chemistry, 27 .

Wexler, RB and Sai Gautam, G and Bell, RT and Shulda, S and Strange, NA and Trindell, JA and Sugar, JD and Nygren, E and Sainio, S and McDaniel, AH and Ginley, D and Carter, EA and Stechel, EB (2023) Multiple and nonlocal cation redox in Ca-Ce-Ti-Mn oxide perovskites for solar thermochemical applications. In: Energy and Environmental Science, 16 (6). pp. 2550-2560.

Devi, R and Singh, B and Canepa, P and Sai Gautam, G (2022) Effect of exchange-correlation functionals on the estimation of migration barriers in battery materials. In: npj Computational Materials, 8 (1).

Tekliye, DB and Kumar, A and Weihang, X and Mercy, TD and Canepa, P and Sai Gautam, G (2022) Exploration of NaSICON Frameworks as Calcium-Ion Battery Electrodes. In: Chemistry of Materials . 10133 -10143.

Deb, D and Sai Gautam, G (2022) Critical overview of polyanionic frameworks as positive electrodes for Na-ion batteries. In: Journal of Materials Research .

Gao, Y and Mishra, TP and Bo, SH and Sai Gautam, G and Canepa, P (2022) Design and Characterization of Host Frameworks for Facile Magnesium Transport. In: Annual Review of Materials Research, 52 . pp. 129-158.

Kapoor, V and Singh, B and Sai Gautam, G and Cheetham, AK and Canepa, P (2022) Rational Design of Mixed Polyanion Electrodes NaxV2P3- i(Si/S)iO12for Sodium Batteries. In: Chemistry of Materials, 34 (7). pp. 3373-3382.

Lu, W and Wang, J and Sai Gautam, G and Canepa, P (2021) Searching Ternary Oxides and Chalcogenides as Positive Electrodes for Calcium Batteries. In: Chemistry of Materials, 33 (14). pp. 5809-5821.

Long, OY and Sai Gautam, G and Carter, EA (2021) Assessing cathode property prediction: Via exchange-correlation functionals with and without long-range dispersion corrections. In: Physical Chemistry Chemical Physics, 23 (43). pp. 24726-24737.

Deng, Z and Sai Gautam, G and Kolli, SK and Chotard, J-N and Cheetham, AK and Masquelier, C and Canepa, P (2020) Phase Behavior in Rhombohedral NaSiCON Electrolytes and Electrodes. In: Chemistry of Materials, 32 (18). pp. 7908-7920.

This list was generated on Sat Sep 30 16:29:12 2023 IST.