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Issue Date	Title	Author(s)
2019	Catalytic upgrading of ethanol to: N -butanol using an aliphatic Mn-PNP complex: Theoretical insights into reaction mechanisms and product selectivity	Rawat, Kuber Singh; Mandal, Shyama Charan; Bhauriyal, Preeti; Garg, Priyanka; Pathak, Biswarup
2019	Computational Insights into the Working Mechanism of the LiPF6-Graphite Dual-Ion Battery	Kumar, Sumit; Bhauriyal, Preeti; Pathak, Biswarup
2017	A Computational Study of a Single-Walled Carbon-Nanotube-Based Ultrafast High-Capacity Aluminum Battery	Bhauriyal, Preeti; Pathak, Biswarup
2019	Density Functional Theory Study of Defect Induced Ferromagnetism and Half-Metallicity in CaI2 Based Monolayer for Spintronics Applications	Bhattacharyya, Gargee; Garg, Priyanka; Bhauriyal, Preeti; Pathak, Biswarup
2018	Electron-rich graphite-like electrode: Stability: vs. voltage for Al batteries	Bhauriyal, Preeti; Garg, Priyanka; Patel, Mahendra; Pathak, Biswarup
2019	Enhanced Lewis acid-base adducts in doped stanene: Sensing and photocatalysis	Garg, Priyanka; Bhattacharyya, Gargee; Bhauriyal, Preeti; Pathak, Biswarup
2018	Ferromagnetism in magnesium chloride monolayer with an unusually large spin-up gap	Bhattacharyya, Gargee; Bhauriyal, Preeti; Garg, Priyanka; Pathak, Biswarup
2018	First-Principles Study of Magnesium Peroxide Nucleation for Mg-Air Battery	Bhauriyal, Preeti; Rawat, Kuber Singh; Bhattacharyya, Gargee; Garg, Priyanka; Pathak, Biswarup
2017	A free-standing platinum monolayer as an efficient and selective catalyst for the oxygen reduction reaction	Garg, Priyanka; Rawat, Kuber Singh; Bhauriyal, Preeti; Pathak, Biswarup
2018	Graphene-like Carbon-Nitride Monolayer: A Potential Anode Material for Na- and K-Ion Batteries	Bhauriyal, Preeti; Pathak, Biswarup
2019	Graphene/hbn heterostructures as high-capacity cathodes with high voltage for next-generation aluminum batteries	Bhauriyal, Preeti; Bhattacharyya, Gargee; Rawat, Kuber Singh; Pathak, Biswarup
2017	Hexagonal BC3 Electrode for a High-Voltage Al-Ion Battery	Bhauriyal, Preeti; Pathak, Biswarup
2018	High-energy-density dual-ion battery for stationary storage of electricity using concentrated potassium fluorosulfonylimide	Bhauriyal, Preeti; Pathak, Biswarup
2019	Identification of Non-Carbonaceous Cathodes in Al Batteries: Potential Applicability of Black and Blue Phosphorene Monolayers	Bhauriyal, Preeti; Pathak, Biswarup
2020	Identifying suitable ionic liquid electrolytes for Al dual-ion batteries: Role of electrochemical window, conductivity and voltage	Manna, Surya Sekhar; Bhauriyal, Preeti; Pathak, Biswarup
2019	Metal-ligand bifunctional based Mn-catalysts for CO2 hydrogenation reaction	Rawat, Kuber Singh; Garg, Priyanka; Bhauriyal, Preeti; Pathak, Biswarup
2021	Polycyclic Aromatic Hydrocarbons as Prospective Cathodes for Aluminum Organic Batteries	Das, Sandeep; Bhauriyal, Preeti; Pathak, Biswarup
2016	Pt3Ti (Ti19@Pt60)-Based Cuboctahedral Core-Shell Nanocluster Favors a Direct over Indirect Oxygen Reduction Reaction	Bhauriyal, Preeti; Rawat, Kuber Singh; Pathak, Biswarup
2019	Recent Advances in Graphene-like 2D Materials for Spintronics Applications	Bhauriyal, Preeti; Pathak, Biswarup
2019	Role of Dimensionality for Photocatalytic Water Splitting: CdS Nanotube versus Bulk Structure	Garg, Priyanka; Bhauriyal, Preeti; Rawat, Kuber Singh; Pathak, Biswarup

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