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Issue DateTitleAuthor(s)
2019Electronic Transport through DNA Nucleotides in Atomically Thin Phosphorene Electrodes for Rapid DNA SequencingKumawat, Rameshwar L.; Garg, Priyanka; Kumar, Sourabh; Pathak, Biswarup
2020Electronic Transport through DNA Nucleotides in BC3Nanogap for Rapid DNA SequencingKumawat, Rameshwar L.; Garg, Priyanka; Bhattacharyya, Gargee; Pathak, Biswarup
2019Hexagonal CuCl Monolayer for Water Splitting: A DFT StudyGarg, Priyanka; Rawat, Kuber Singh; Bhattacharyya, Gargee; Kumar, Sourabh; Pathak, Biswarup
2019Enhanced Lewis acid-base adducts in doped stanene: Sensing and photocatalysisGarg, Priyanka; Bhattacharyya, Gargee; Bhauriyal, Preeti; Pathak, Biswarup
2019Density Functional Theory Study of Defect Induced Ferromagnetism and Half-Metallicity in CaI2 Based Monolayer for Spintronics ApplicationsBhattacharyya, Gargee; Garg, Priyanka; Bhauriyal, Preeti; Pathak, Biswarup
2019Catalytic upgrading of ethanol to: N -butanol using an aliphatic Mn-PNP complex: Theoretical insights into reaction mechanisms and product selectivityRawat, Kuber Singh; Mandal, Shyama Charan; Bhauriyal, Preeti; Garg, Priyanka; Pathak, Biswarup
2019Hexagonal Cu(111) Monolayers for Selective CO2 Hydrogenation to CH3OH: Insights from Density Functional TheoryMandal, Shyama Charan; Rawat, Kuber Singh; Garg, Priyanka; Pathak, Biswarup
2018First-Principles Study of Magnesium Peroxide Nucleation for Mg-Air BatteryBhauriyal, Preeti; Rawat, Kuber Singh; Bhattacharyya, Gargee; Garg, Priyanka; Pathak, Biswarup
2016TM@gt-C3N3 monolayers: High-temperature ferromagnetism and high anisotropyGarg, Priyanka; Pathak, Biswarup