Full List of Publications:
Nanoclusters | Batteries | DNA Sequencing

168. Electronic and Transport Properties of Bilayer Phosphorene Nanojunction: Effect of Paired Substitution Doping, V. Shukla, Rameshwar L. Kumawat, N. K. Jena, Biswarup pathak, R. Ahuja, ACS Applied Electronic Materials , 3, 733-742, 2021.

167. Identifying DNA Nucleotides via Transverse Electronic Transport in Atomically Thin Topologically Defected Graphene Electrodes, Rameshwar Kumawat, Biswarup Pathak, ACS Applied Bio materials, 4, 2, 1403-1412, 2021.|Front Cover Page Article

166. Computational Strategies to Address the Catalytic Activity of Nanoclusters, Akhil S. Nair, Biswarup Pathak, WIREs Computational Molecular Science , 1508, 1-19, 2021. [Impact Factor: 16.778]

165. Computational Insights into Electrocatalytic CO2 Reduction Facilitated by Mn(I) Half Sandwich-based Catalysts: Role of Substitution and Solvent, Shyama Charan Mandal, Biswarup Pathak, Electrochimica Acta , 366, 137463, 2021.

164. Recent Trends in Electrode and Electrolyte Designing for Aluminium Battery, Sandeep Das, Surya S. Manna,Biswarup Pathak, ACS Omega (Minireview | Invited), 6, 1043-1053, 2021.|Front Cover Page Article

163. Dual-functionalization actuated trimodal attribute in ultra-robust MOF: exceptionally selective capture and effectual fixation of CO2 with fast-responsive, nanomolar detection of assorted organo-contaminants in water, N. Seal, M. Singh, Sandeep Das, R. Goswami, Biswarup Pathak, Subhadip Neogi, Materials Chemistry Frontiers, 5, 979-994, 2021.

162. Unraveling the Catalytically Preferential Pathway between Direct and Indirect Hydrogenation of CO2 to CH3OH using N-heterocyclic Carbene-based Mn(I) Catalysts: A Theoretical Aapproach, Amitabha Das, Shyama C. Mandal, Biswarup Pathak, Catalysis Sc. Technology, 11, 1375-1385, 2021.

161. Polycyclic Aromatic Hydrocarbons as Prospective Cathodes for Aluminium Organic Batteries, Sandeep Das, Preeti Bhauriyal, Biswarup Pathak, Journal of Physical Chemistry C, 125, 49-57, 2021.

160. Defects Engineering on Ceria and C-C Coupling Reactions Using [Au11(PPh3)7I3] Nanocluster: A Combined Experimental and Theoretical Study, A. Das, S. Mukherjee, R. Sreehari, Akhil Nair, S, Bhandary, D. Chopra, D. Sanyal, Biswarup Pathak, S. Mandal, ACS Nano, 12, 16681-16688, 2020.

159. Individual Identification of Amino Acids on Atomically Thin Hydrogen Boride System using the Electronic Transport Calculations, Rameshwar Kumawat, Milan Jena,Biswarup Pathak, Journal of Physical Chemistry C, 124, 27194-27202, 2020.

158. Superior Anchoring Effect of Cu-Benzenehexathial MOF as Aluminium-Sulfur Battery Cathode Host, Preeti Bhauriyal, Biswarup Pathak, Materials Advances , 1, 3572-3581, 2020.

157. Synergistic Effect of Bridging Thiolate and Hub Atoms for the Aro-maticity Driven Symmetry Breaking in Atom Precise Gold Nanocluster, M. P. Maman,$ Akhil S. Nair,$ A. Mohammad, Biswarup Pathak*, S. Mandal,* Journal of Physical Chemistry Letters, 11, 10052-10059, 2020. [$Authors contributed equally]

156. Extended Topological Line Defects in Graphene for Individual Identification of DNA Nucleobases, Rameshwar L. Kumawat, Biswarup Pathak*, Materials Advances, 1, 2908-2916, 2020.

155. Symmetry Protection and Giant Fermi Arcs from Multifold Fermions in Binary, Ternary, and Quaternary Compounds, C. K. Barman,$ Chiranjit Mondal,$ S. Pujari, Biswarup Pathak*, A. Alam,* Physical Review B, 102, 155147, 2020.[$Authors contributed equally]

154. BCN Monolayer for High Capacity Al based Dual-Ion Batteries, Hariom Saini, Sandeep Das, Biswarup Pathak, Materials Advances, 1, 2418-2425, 2020.

153. Au-Seeded Ag-Nanorod Networks for Electrocatalytic Sensing, Sandip Kumar De, Sourabh Kumar, S. Ray, S. Mondal, A. Roy, G. Bhattacharjee, A. Nandy, A. Roy, Biswarup Pathak*, D. Senapati,* ACS Applied Nano Materials, 10, 9969-9983, 2020.

152. Elucidating Mechanistic Origin of Catalytic Activity of Fe(111) Surface and Nanocluster Towards Electrochemical Nitrogen Reduction Reaction, Arunendu Das, Akhil S. Nair, Biswarup Pathak, Journal of Physical Chemistry C, 124, 20193-20202, 2020.

151. Computational Insights into Selective CO2 Hydrogenation to CH3OH Catalysed by ZnO Based Nanocages, Shyama C. Mandal, Biswarup Pathak, Materials Advances, 1, 2300-2309, 2020.

150. Symmetry Driven Topological Phases in XAgBi (X=Ba,Sr): An ab-initio Hhybrid Functional Calculation, Chanchal KBarman,$ Chiranjit Mondal,$ Biswarup Pathak*, A. Alam* Physical Review Materials, 4, 084201, 2020.[$Authors contributed equally]

149. Functionalized Carbon Nanotube Electrodes for Controlled DNA Sequencing, Rameshwar L Kumawat, Biswarup Pathak, Nanoscale Advances, 2, 4041-4050, 2020.

148. Identifying the Suitable Ionic Liquid Electrolytes in Al Dual-Ion Batteries: Role of Electrochemical Window, Conductivity and Voltage, Surya S. Manna, Preeti Bhauriyal, Biswarup Pathak, Materials Advances, 1, 1354-1363, 2020.

147. Porphyrin Nanoribbon Based Spin Filtering Device, Gargee Bhattacharyya, Rameshwar L Kumawat, Biswarup Pathak, Physical Chemistry Chemical Physics, 22, 16368-16377, 2020.

146. Theoretical Insights into the Charge and Discharge Processes in Aluminium-Sulfur Batteries, Preeti Bhauriyal, Sandeep Das, Biswarup Pathak, Journal of Physical Chemistry C, 124, 11317-11324, 2020.

145. Unravelling Single Atom Electrocatalytic Activity of Transition Metal Doped Phosphorene, Akhil S. Nair, R. Ahuja, Biswarup Pathak, Nanoscale Advances, 2, 2410-2421, 2020. (This article is part of the themed collection of Hot Article)

144. Electronic Transport through DNA Nucleotides in a BC3 Nanogap for Rapid DNA Sequencing, Rameshwar L Kumawat Priyanka Garg, Gargee Bhattacharyya, Biswarup Pathak, ACS Applied Electronic Materials, 2, 1218-1225, 2020.

143. Theoretical Insights into Solid Electrolyte Interphase (SEI) Formation in Al Anode Dual-Ion Battery, Sandeep Das, Preeti Bhauriyal, Biswarup Pathak, Journal of Physical Chemistry C, 124, 7634-7643, 2020.

142. Unusual demetalation of iron from [2]ferrocenophane skeleton of dinuclear ferracycle carbonyl complex, R.S., M.T., A.S., B. Pathak,M.M.S., PM, Applied Organometallic Chemistry, 34, 4, 2020.

141. Prospects of Black Phosphorus Nanoribbon for Explosive Sensing: A Computational Approach, Rameshwar L. Kumawat, Biswarup Pathak, Applied Surface Science, 529, 147094, 2020.

140. Unique Dirac and Triple Point Fermiology in Simple Transition Metals and their Binary Alloys, Chiranjit Mondal,$ C. K. Barman,$ S. Sarkar, S. R. Barman, A. Alam,* Biswarup Pathak*, Physical Review B, 101, 155108, 2020.[$Authors contributed equally]

139. Size Evolution Dynamics of Gold Nanoclusters at an Atom-Precision Level: Ligand Exchange, Growth Mechanism, Electrochemical, and Photophysical Properties, M. P. Maman,$ Akhil S. Nair,$ H. Cheraparambil, Biswarup Pathak*, S. Mandal*, Journal of Physical Chemistry Letters, 11, 1781-1788, 2020.[$Authors contributed equally]

138. First Principles Investigation on Applicability of Ruthenium as a Potential ORR Catalyst, Surajit Nandi, Akhil S. Nair, Biswarup Pathak, Journal of Chemical Sciences, 132, 2, 2020.

137. Temperature-induced crystallinity and vibrational properties in samarium orthovanadate, Emin Varghese, Sourabh Kumar, Biswarup Pathak, S. Sen, Physical Review B, 101, 174112, 2020.

136. Serendipitous base catalysed condensation-heteroannulation of iminoesters: a regioselective route to the synthesis of 4,6-disubstituted 5-azaindoles, P. Dudhe, K. Venkatasubbaiah, Biswarup Pathak, Chelvam Venkatesh, Organic & Biomolecular Chemistry, 18, 1582-1587, 2020.

135. Novel BCN-Phosphorene Bilayer: Dependence of Carbon Doping on Band Offsets for Potential Photovoltaic Applications, L. Ngamwongwan, P. Moontragoon, W. Jarernboon, Chiranjit Mondal, Biswarup Pathak, T. Kaewmaraya, Applied Surface Sicence, 504, 144327, 2020.

134. Type-II Dirac States in Full Heusler Compounds XInPd2 (X = Ti, Zr, and Hf), Chiranjit Mondal,$ C. K. Barman,$ Biswarup Pathak*, A. Alam,* Physical Review B, 100, 245151, 2019.[$Authors contributed equally]

133. Zone-Specific Crystallization and a Porosity-Directed Scaling Marker for the Catalytic Efficacy of Au-Ag Alloy Nanoparticles, S. K. De, S. Mondal, A. Roy, Sourabh Kumar, M. Mukherjee, S. D. Chakraborty, P. Sen, Biswarup Pathak, B. Satpati, M. Mukhopadhyay, D. Senapati, ACS Applied Nano Materials, 2, 7669-7685, 2019.

132. Hexagonal Cu(111) Monolayers for Selective CO2 Hydrogenation to CH3OH: Insights from Density Functional Theory, Shyama Charan Mandal, Kuber Singh Rawat, Priyanka Garg, Biswarup Pathak, ACS Applied Nano Materials, 2, 7686-7695, 2019.

131. Recent Advances in Graphene-Like 2D Materials for Spintronics Applications, Indrani Choudhuri, Preeti Bhauriyal, Biswarup Pathak, Chemistry of Materials, 20, 8260-8285, 2019.

130. Computational Insights into Working Mechanism of LiPF6-Graphite Dual-Ion Battery, Sumit Kumar, Preeti Bhauriyal, Biswarup Pathak, Journal of Physical Chemistry C, 123, 23863-23871, 2019.

129. Density Functional Theory Study of Defect Induced Ferromagnetism and Half-Metallicity in CaI2 Based Monolayer for Spintronics Applications, Gargee Bhattacharyya, Priyanka Garg, Preeti Bhauriyal, Biswarup Pathak, ACS Applied Nano Materials, 10, 6152-6161, 2019.(Front Cover Page Article)

128. Individual Identification of DNA Nucleobases on Atomically Thin Black Phosphorene Nanoribbon: vdW Corrected DFT Calculations, Rameshwar Kumawat, Biswarup Pathak, Journal of Physical Chemistry C, 123, 22377-22383, 2019.

127. Recent Advancements of Pt-nanostructure Based Electrocatalysts for Oxygen Reduction Reaction, Arup Mahata, Akhil S. Nair, Biswarup Pathak, Catalysis Science and Technology (Minireview), 9, 4835-4863, 2019.

126. Identification of Intermediate Au22(SR)4(SR’)14 Cluster on Ligand Induced Transformation of Au25(SR)18 Nanocluster, A. George, A. Sundar, Akhil S Nair, M. P. Maman, Biswarup Pathak, N. Ramanan, S. Mandal, Journal of Physical Chemistry Letters, 10, 4571-4576, 2019.

125. Chemical Degradation of Mercury Alkyls Mediated by Copper Selenide Nanosheets, A. Chalana, R. Karri, Shyama Charan Mandal, Biswarup Pathak, G. Roy, Chemistry An Asian Journal, 14, 4582-4587, 2019.

124. Antibiotic-Triggered Reversible Luminescence Switching in Amine Grafted Mixed-Linker MOF: Exceptional Turn-On and Ultra-Fast Nanomolar Detection of Sulfadiazine and AMP with Molecular Keypad-Lock Function, R. Goswami, Shyama Charan Mandal, N. Seal, Biswarup Pathak, S. Neogi, Journal of Materials Chemistry A, 7, 19471-19484, 2019. (This article is part of the themed collection of Hot Article)

123. Identification of Non-Carbonaceous Cathodes in Al Batteries: Potential Applicability of Black and Blue Phosphorene Monolayers, Preeti Bhauriyal, Biswarup Pathak, Chemistry An Asian Journal, 14, 2831-2837, 2019.

122. Hexagonal CuCl Monolayer for Water Splitting: A DFT Study, Priyanka Garg, Kuber Singh Rawat, Gargee Bhattacharyya, Sourabh Kumar, Biswarup Pathak, ACS Applied Nano Materials, 2, 4238-4246, 2019.

121. Spin-Polarized Current in Ferromagnetic Half-Metallic Transition Metal Iodide Nanowire, Sourabh Kumar, Rameshwar Kumawat, Biswarup Pathak, Journal of Physical Chemistry C, 123, 15717-15723, 2019.

120. Computational Screening of Electrocatalytic Activity of Transition Metal-Doped CdS Nanotubes for Water Splitting, Priyanka Garg, Akhil S Nair, Kuber Singh Rawat, Biswarup Pathak, Journal of Physical Chemistry C, 123, 13419-13427, 2019.

119. Ruthenium-Catalyzed C-H Bond Activation/Arylation Accelerated by Biomas-Derived Ligands,Chinky Binnani, Shyama C. Mandal, Biswarup Pathak, S. K. Singh European Journal of Inorganic Chemistry, 23, 2844-2852, 2019.

118. Catalytic Upgrading of Ethanol to n-Butanol using Aliphatic Mn-PNP Complex: Theoretical Insights on Reaction Mechanisms and Product Selectivity, Kuber S. Rawat, Shyama C. Mandal, Preeti Bhauriyal, Priyanka Garg, Biswarup Pathak, Catalysis Science and Technology, 9, 2794-2805, 2019.(This article is part of the themed collection of Hot Article)

117. Broken Symmetry Driven Topological Semimetal to Gapped Phase Transitions in SrAgAs, Chiranjit Mondal,$ C. K. Barman,$ A. Alam, Biswarup Pathak, Physical Review B, 99, 205112, 2019.[$Authors contributed equally]

116. Theoretical Insights into CO2 Hydrogenation to Methanol by Mn-PNP Complex, Shyama C. Mandal, Kuber S. Rawat, Surajit Nandi, Biswarup Pathak, Catalysis Science and Technology, 9, 1867-1878, 2019.

115. Metal-ligand bifunctional based Mn-catalysts for CO2 hydrogenation reaction, Kuber S. Rawat, Priyanka Garg, Preeti Bhauriyal, Biswarup Pathak, Molecular Catalysis,468, 109-116, 2019.

114. Graphene/hBN Heterostructure as High Capacity Cathode with High Voltage for Next Generation Aluminium Batteries, Preeti Bhauriyal, Gargee Bhattacharyya, Kuber Singh Rawat, Biswarup Pathak, Journal of Physical Chemistry C, 123, 7, 3959-3967, 2019.

113. A Computational Study on Ligand Assisted vs. Ligand Participated Mechanism for CO2 Hydrogenation: Importance of Bifunctional Ligand Based Catalysts, Shyama C. Mandal, Kuber S. Rawat, Biswarup Pathak, Physical Chemistry Chemical Physics, 21, 3932-3941, 2019.

112. Computational Screening for ORR Activity of 3d Transition Metal Based M@Pt Core-Shell Clusters, Akhil S Nair, Biswarup Pathak, Journal of Physical Chemistry C, 123, 6, 3634-3644, 2019.(Invited Special Issue: Published as part of The Journal of Physical Chemistry virtual special issue "Young Scientists")

111. Quaternary Heusler alloy: An ideal platform to realize triple point fermions, C. K. Barman, Chiranjit Mondal, Biswarup Pathak, A. Alam, Physical Review B 99, 045144, 2019.

110. Electronic Transport through DNA Nucleotides in Atomically Thin Phosphorene Electrodes for Rapid DNA Sequencing, Rameshwar L. Kumawat, Priyanka Garg, Sourabh Kumar, Biswarup Pathak, ACS Applied Materials and Interfaces, 11, 219-225, 2019.

109. Guest-induced Ultrasensitive Detection of Multiple Toxic Organics and Fe3+ Ions in a Strategically Designed and Regenerative Smart Fluorescent MOF, Ranadip Goswami, Shyama Charan Mandal, Biswarup Pathak, Subhadip Neogi, ACS Applied Materials and Interfaces, 11, 9, 9042-9053, 2019.

108. One Dimensional CdS Nanotube vs CdS Bulk Structure for Photocatalytic Water Splitting: Role of Dimensionality, Priyanka Garg, Preeti Bhauriyal, Arup Mahata, Kuber Singh Rawat, Biswarup Pathak, ChemPhysChem, 20, 383-391, 2019.

107. Enhanced Lewis Acid-Base Adducts in Doped Stanene: Sensing and Photocatalysis, Priyanka Garg, Gargee Bhattacharyya, Preeti Bhauriyal, Biswarup Pathak, Applied Surface Science, 478, 946-958, 2019.

106. A Computational Study of Electrocatalytic CO2 Reduction by Mn(I) Complexes: Role of Bipyridine Substituents, Kuber Singh Rawat, Shyama Charan Mandal, Biswarup Pathak, Electrochimica Acta, 297, 606-612, 2019.

105. Double-Exchange Magnetic Interactions in High-Temperature Ferromagnetic Iron Chalcogenide Monolayer, Sourabh Kumar, Chiranjit Mondal, Biswarup Pathak, ChemPhysChem, 20, 873-880, 2019.

104. Emergence of Topological insulator and Nodal line semi-metal states in XX'Bi (X = Na, K, Rb, Cs; X' = Ca, Sr), Chiranjit Mondal, C. K. Barman, Sourabh Kumar, A. Alam, Biswarup Pathak, Scientific Reports, 9, 527, 2019.

103. Topological Nontrivial Phase in Hexagonal Antiperovskites A3BiB (A=Ba,Sr; B=P,N), C. K. Barman, Chiranjit Mondal, V. Singh, Biswarup Pathak, A. Alam, Physical Review B, 98, 245149, 2018.

102. Zn(II)-nucleobase metal-organic nanofibers and nanoflowers: synthesis and photocatalytic application, B. Sharma, Arup Mahata, S. Mandani, N. Thakur, Biswarup Pathak, T. K. Sharma, New Journal of Chemistry,42, 17983-17990, 2018.

101. Ferromagnetism in Magnesium Chloride Monolayer with an Unusual large Spin-up Gap, Gargee Bhattacharyya, Indrani Choudhuri, Preeti Bhauriyal, Priyanka Garg, Biswarup Pathak, Nanoscale, 10, 22280-22292, 2018.

100. High-energy-density dual-ion battery for stationary storage of electricity using concentrated potassium fluorosulfonylimide, K. Kravchyk, Preeti Bhauriyal, L. Piveteau, C. Guntlin, Biswarup Pathak, Maksym Kovalenko, Nature Communications, 9, 4469, 2018.

99. High Curie Temperature and Half-metallicity in Atomically Thin Main Group Based Boron Phosphide System: Long Range Ferromagnetism, Gargee Bhattacharyya, Indrani Choudhuri, Biswarup Pathak, Physical Chemistry Chemical Physics; 20, 22877-22889, 2018.

98. First-Principles Study of Magnesium Peroxide Nucleation for Mg-Air Battery, Preeti Bhauriyal, Kuber S. Rawat, Gargee Bhattacharyya, Priyanka Garg, Biswarup Pathak, Chemistry An Asian Journal; 13, 3198-3203, 2018.

97. Multi-Layered Platinum Nanotube for Oxygen Reduction in a Fuel Cell Cathode: Origin of Activity and Product Selectivity, Akhil S. Nair, Arup Mahata, Biswarup Pathak, ACS Applied Energy Materials; 1, 3890-3899, 2018.

96. Crystal Defect Induced Facet Dependent Electrocatalytic Activity of 3D Gold Nanoflower towards the Selective Nanomolar (nM) Detection of Ascorbic Acid, S. K. De, S. Mondal, P. Sen, U. Pal, K. S. Rawat, Biswarup Pathak, M. Bardhan, M. Bhattacharya, B. Satpati, A. De, D. Senapati, Nanoscale; 10, 11091-11102, 2018.

95. Electron-Rich Graphite-Like Electrode: Stability vs. Voltage for Al Battery, Preeti Bhauriyal, Priyanka Garg, Mahendra Patel, Biswarup Pathak, Journal of Materials Chemistry A; 6, 10776-10786, 2018.

94. The Significance of Acid-Base Properties in the Key Ligand for CO2 hydrogenation: Role of Amido Ligand, Kuber Singh Rawat, Biswarup Pathak, Journal of Chemical Sciences; 130, 65, 2018.

93. Flexible Proton Responsive Ligand-based Mn(I)-Complexes for CO2 Hydrogenation: A DFT Study, Kuber Singh Rawat, Biswarup Pathak, Physical Chemistry Chemical Physics; 20, 12535-12542, 2018.

92. Topologically Protected Hybrid States in Graphene-Stanene-Graphene Heterojunction,Chiranjit Mondal, Sourabh Kumar, Biswarup Pathak, Journal of Materials Chemistry C; 6, 1920-1925, [JMC Hot Paper] 2018.

91. Graphene-Like Carbon-Nitride Monolayer: A Potential Anode Material for Na and K-Ion Batteries, Preeti Bhauriyal, Arup Mahata, Biswarup Pathak, Journal of Physical Chemistry C; 122, 5, 2481-2489, 2018.

90. Ferromagnetism and Half-Metallicity in a High Band Gap h-BN System, Indrani Choudhuri, Biswarup Pathak, ChemPhysChem; 19, 153-161, 2018.

89. Stanene Based Gas Sensors: Effect of Spin-Orbit Coupling, Priyanka Garg, Indrani Choudhuri, Biswarup Pathak, Physical Chemistry Chemical Physics;19, 31325-31334, 2017.

88. Exploiting Le Chatelier.s Principle for One-Pot Synthesis of Nontoxic HHogGNPs with Sharpest Nanoscopic Features Suitable for Tunable Plasmon Spectroscopy and High Throughput SERS Sensing, M. Bhattacharya, V. Mazov, B. Satpati, S. D. Chakraborti, Sourabh Kumar, Biswarup Pathak, D. V. Kuznetsov, D. Senapati, Chemical Communication; 53, 10402-10405, 2017.

87. Semiconducting Phase in Borophene: Role of Defect & Strain, Gargee Bhattacharyya, Arup Mahata, Indrani Choudhuri, Biswarup Pathak, Journal of Physics D: Applied physics; 50, 405103, 2017.

86. Ferromagnetism and Half-metallicity in Atomically Thin Holey Nitrogenated Graphene Based System, Indrani Choudhuri, Biswarup Pathak, ChemPhysChem; 18, 2336-2346, 2017.

85. Bimetallic Core-Based Cuboctahedral Core-Shell Nanocluster for Hydrogen Peroxide (2e- reduction) over Water (4e- reduction) Formation: Role of Core Metals, Arup Mahata, Biswarup Pathak, Nanoscale; 9, 9537-9547, 2017.

84. Aliphatic Mn-PNP Complexes for CO2 Hydrogenation Reaction: A Base Free Mechanism, Kuber Singh Rawat, Biswarup Pathak, Catalysis Science & Technology; 7, 3234-3242, (Impact Factor:5.287) 2017.

83. A Computational Study of Single-walled Carbon Nanotube Based Ultrafast High Capacity Al Battery, Preeti Bhauriyal, Arup Mahata, Biswarup Pathak, Chemistry An Asian Journal; 12, 1944-1951, (Impact Factor:4.592) 2017.

82. Hexagonal BC3 Electrode for a High Voltage Al-ion Battery, Preeti Bhauriyal, Arup Mahata, Biswarup Pathak, Journal of Physical Chemistry C; 121, 9748-9756, (Impact Factor:4.449) 2017.

81. Thermochemical and Electrochemical CO2 Reduction on Octahedral Cu Nanocluster: Role of Solvent towards Product Selectivity, Kuber S. Rawat, Arup Mahata, Biswarup Pathak, Journal of Catalysis; 349, 118-127, (Impact Factor:7.354) 2017.

80. Room Temperature Magnetodielectric Effect in LaGa0.7Fe0.3O3+y; Origin and Impact of Excess Oxygen, H. M. Rai, P. Singh, S. Saxena, V. Mishra; M. K. Warshi, R. Kumar; P. Rajput, A. Sagdeo, I. Choudhuri, Biswarup pathak , P. Sagdeo, Inorganic Chemistry; 56, 3809-3819, (Impact Factor:4.820) 2017.

79. The Staging Mechanism of AlCl4 Intercalation in Graphite Electrode for Aluminium-ion Battery, Preeti Bhauriyal, Arup Mahata, Biswarup Pathak, Physical Chemistry Chemical Physics; 19, 7980-7989, (Impact Factor:4.449) 2017.

78. Free-standing Platinum Monolayer as Efficient and Selective Catalyst for Oxygen Reduction Reaction, Arup Mahata, Priyanka Garg, Kuber Singh Rawat, Preeti Bhauriyal, Biswarup Pathak, Journal of Materials Chemistry A; 5, 5303-5313, (Impact Factor:8.26) 2017.

77. Protection of Endogenous Thiols Against Methylmercury by Benzimidazole-based Thione via Unusual Ligand Exchange Reactions, Banerjee, M.; Karri, R.; Chalana. A.; Das, R.; Rai, R. K.; Rawat, K. S., Biswarup Pathak, Roy, G Chemistry A European Journal; 23, 5696-5707,2017. (Impact Factor: 5.771).

76. Band Gap Opening in Stanene Induced by Patterned B-N Doping, Priyanka Garg, Indrani Choudhuri, Arup Mahata, Biswarup Pathak, Physical Chemistry Chemical Physics; 19, 3660-3669, 2017 (Impact Factor: 4.449).

75. Effect on catecholase activity and interaction with biomolecules of metal complexes containing differently tuned 5-substituted ancillary tetrazolato ligands, Manideepa Saha, Novina Malviya, Mriganka Das, Indrani Choudhury, Shaikh M. Mobin, Biswarup Pathak, Suman Mukhopadhyay, Polyhedron 121, 155-171, (Impact Factor:2.108)2017.

74. Metal-Free Half-Metallicity in a High Energy Phase C-doped gh-C3N4 System: A High Curie Temperature Planar System, Indrani Choudhuri, Gargee Bhattacharyya, Sourabh Kumar, Biswarup Pathak, Journal of Materials Chemistry C; 4, 11530-11539, (Impact Factor: 5.07) 2016.

73. Catalytic Hydrogenation of CO2 by Fe-Complexes Containing Pendant Amines: Role of Water and Base, Kuber Singh Rawat, Arup Mahata, Biswarup Pathak, Journal of Physical Chemistry C; 120, 26652-26662, (Impact Factor: 4.50) 2016.

72. Fe doped LaGaO3: good white light emitters. Preetam Singh, Indrani Choudhuri, Hari Mohan Rai, Vikash Mishra, Rajesh Kumar, Biswarup Pathak , Archna Sagdeocd, P. R. Sagdeo, RSC Advances; 6, 100230-100238, (Impact Factor: 3.289) 2016.

71. Pt3Ti (Ti19@Pt60) Based Cuboctahedral Core-shell Nanocluster Favours Direct over Indirect Oxygen Reduction Reaction, Arup Mahata, Preeti Bhauriyal, Kuber Singh Rawat, Biswarup Pathak, ACS Energy Letters; 1, 797-805, (Impact Factor:) 2016.

70. Cuboctahedral vs. Octahedral Platinum Nanoclusters: Insights into the Shape-dependent Catalytic Activity for Fuel Cell, Arup Mahata, Kuber Singh Rawat, Indrani Choudhuri Biswarup Pathak, Catalysis Science and Technology; 6, 7913-7923, (Impact Factor:5.426) 2016.

69. Atomically Thin Ferromagnetic Half-Metallic Pyrazine-Fused Mn-Porphyrin Sheet: A Slow Spin Relaxation System, Sourabh Kumar, Indrani Choudhuri, Biswarup Pathak, Journal of Materials Chemistry C 4, 9069-9077, (Impact Factor:5.07) 2016.

68. Transition-Metal Embedded gt-C3N3 Monolayers: High-Temperature Ferromagnetism and High Anisotropy, Indrani Choudhuri, Priyanka Garg, Biswarup Pathak, Journal of Materials Chemistry C; 4, 8253 - 8262, (Impact Factor:5.07) 2016.

67. Catalytic Hydrogenation of CO2 by Manganese Complexes: Role of Pi-Acceptor Ligands, Kuber S. Rawat, Arup Mahata Indrani Choudhuri, Biswarup Pathak, Journal of Physical Chemistry C; 120, 16478-16488, (Impact Factor:4.50) 2016.

66. Single-layered Platinum Nanocage: A Highly Selective and Efficient Catalyst for Fuel Cell, Arup Mahata, Kuber S. Rawat, Indrani Choudhuri, Biswarup Pathak, Journal of Materials Chemistry A; 4, 12756-12767, (Back Cover Page Article) (Impact Factor:8.26) 2016.

65. Transition-Metal Embedded Carbon Nitride Monolayers: High-Temperature Ferromagnetism and Half-Metallicity, Indrani Choudhuri, Sourabh Kumar, Arup Mahata, Kuber Rawat, Biswarup Pathak, Nanoscale; 8, 14117-14126, (Back Cover Page Article) (Impact Factor:7.76)2016.

64. Octahedral Ni-nanocluster (Ni85) for Efficient and Selective Reduction of Nitric Oxide (NO) to Nitrogen (N2), Arup Mahata, Kuber Singh Rawat, Indrani Choudhuri, Biswarup Pathak, Scientific Reports; 6, 25590(1-13), (Impact Factor:5.22)2016.

63. N-Heterocylic Carbene Based Mn-Electrocatalyst for Two Electron CO2 Reduction Over Proton Reduction, Kuber Singh Rawat, Arup Mahata, Indrani Choudhuri, Biswarup Pathak, Journal of Physical Chemistry C; (Impact Factor:4.50)120, 8821-8831, 2016.

62. Hexagonal Planar CdS Monolayer Sheet for Visible Light Photo-Catalysis, Priyanka Garg, Sourabh Kumar, Indrani Choudhuri, Arup Mahata, Biswarup Pathak, Journal of Physical Chemistry C; (Impact Factor:4.50) 120, 7052-7060, 2016.

61. Lewis Acid-Base Adducts for Improving the Selectivity and Sensitivity of Graphene based Gas Sensors, Indrani Choudhuri, Debopriya Sadhukhan, Priyanka Garg, Arup Mahata, Biswarup Pathak, ACS Sensors; 1, 451-459, 2016.(Selected for "Introducing our Authors")

60. Role of Ti doping and Al and B vacancies in the dehydrogenation of Al(BH4)3, Indrani Choudhuri, Arup Mahata, Kuber Singh Rawat, Biswarup Pathak, Journal of Chemical Sciences; 128, 1651-1662 (Invited Article, Special Issue on Chemical Bonding on the occasion of centenary year of Chemical Bonding of Prof. G. N. Lewis)2016.

59. Troponate-/Aminotroponate Ruthenium-Arene complexes: Synthesis, Structure and Ligand Tuned Mechanistic Pathway for Direct C-H bond Arylation with Arylchlorides in water, A. Dwivedi, C. Binnani, D. Tyagi, Kuber Rawat, P-Z. Li, Y. Zhao, M. Shaikh, Biswarup Pathak, Sanjay K. Singh Inorganic Chemistry 55, 6739-6749, (Impact Factor:4.762)2016.

58. Coordination polymer hydrogels through Ag(I)-mediated spontaneous self-assembly of unsubstituted nucleobases and their antimicrobial activity, B. Sharma, Arup Mahata, S. Mandani, T. K. Sarma, Biswarup Pathak, RSC Advances; (Impact Factor:3.289) 6, 62968-62973, 2016.

57. Access to highly active Ni-Pd bimetallic nanoparticle catalysts for C-C coupling reactions, Rohit K. Rai, Kavita Gupta, Deepika Tyagi, Arup Mahata, Silke Behrens, Xinchun Yang, Qiang Xu, Biswarup Pathak, Sanjay K. Singh Catalysis Science and Technol.6, 5567-5579, (Impact Factor:5.426)2016.

56.Copper complexes with flexible piperazinyl arm: nuclearity driven catecholase activity and interactions with biomolecules, Mriganka Das, Poulami Mandal, Novina Malviya, Indrani Choudhuri, Maria Adilia Januario Charmier,Susana Morgado, Shaikh M Mobin, Biswarup Pathak, Suman Mukhopadhyay, Journal of Coordination Chemistry; 69, 3619-3637, (Impact Factor:)2016.

55. Kinetics Behind a Strategy for Modulation of Sustainable Benzoxazines: Experimental Study and Its Theoretical Verification, Swapnil Shukla, Manorama Tripathi, Arup Mahata, Biswarup Pathak, Bimlesh Lochab Macromol. Chem. Phys.; (Cover Page Article, Impact Factor:2.616) 217, 1342-1353, 2016.

54. First Principles Design of Li Functionalized Hydrogenated h-BN Nanosheet For Hydrogen Storage, Paramita Banarjee, Biswarup Pathak, R. Ahuja, G. P. Das International Journal of Hydrogen Energy; Impact Factor:3.313 41, 14437-14446, 2016.

53. B-N@Graphene: Highly Sensitive and Selective Gas Sensor, Indrani Choudhuri, Nandini Patra, Arup Mahata, Rajeev Ahuja, Biswarup Pathak, Journal of Physical Chemistry C; Impact Factor: 4.772 , 119, 24827-24836, 2015.

52. Targeted Water Soluble Copper-tetrazolate Complexes:Interactions with Biomolecules and Catecholase like Activities, Manideepa Saha, Mriganka Das, Rajendar Nasani, Indrani Choudhuri, Mobin M Shaikh, Md. Yousufuddi, Hari P. Nayek, Biswarup Pathak, Suman Mukhopadhyay, Dalton Trans.; Impact Factor: 4.197 , 44, 20154-20167, 2015.

51. Cardanol benzoxazines - Interplay of Oxazine Functionality (Mono to Tetra) and Properties, Swapnil Shukla, Arup Mahata, Biswarup Pathak, Bimlesh Lochab, RSC Advances; Impact Factor: 3.84 , 5, 78071-78080, 2015.

50. A Cuboctahedral Platinum (Pt79) Nanocluster Enclosed by Well Defined Facets Favours Di-sigma Adsorption and Improves the Reaction Kinetics for Methanol Fuel Cell. Arup Mahata, Indrani Choudhuri, Biswarup Pathak, Nanoscale; (Back Cover Page Article; Impact Factor: 7.394 ) 7, 13438-13451, 2015.

49. Chemical Detoxification of Organomercurials. M. Banerjee, R. Karri, K. S. Rawat, K. Muthuvel, Biswarup Pathak, G. Roy, Angew. Chem. Int. Ed.(Inside Back Cover Page Article; Impact Factor: 11.261 ), 54, 9323-9327, 2015.

48. Star shaped Ferrocenyl Substituted Triphenylamines. Rajneesh Misra, Ramesh Maragani, Biswarup Pathak, Prabhat Gautam, Mobin M Shaikh, RSC Advances(Impact Factor: 3.84 ), 5, 71046-71051, 2015.

47. Direct vs. Indirect Pathways for Nitrobenzene Reduction over Ni Catalyst Surface: A Density Functional Study. Arup Mahata, Rohit K. Rai, Indrani Choudhuri, Sanjay K. Singh, Biswarup Pathak,* Physical Chemistry Chemical Physics(Impact Factor: 4.198), 16, 26365-26374, 2014.

46. Additives in Protic-Hydridic Hydrogen Storage Compounds: A Molecular Study. Indrani Choudhuri, Arup Mahata Biswarup Pathak*, RSC Advances(Impact Factor: 3.84), 4, 52785-52795, 2014.

45. The Effect of Remote Substitution on Formation of Preferential Isomers of Cobalt(III)-tetrazolate Complexes by Microwave Assisted Cycloaddition. Manideepa Saha, Rajendar Nasani, Mriganka Das, Shaikh M Mobin, Biswarup Pathak, Suman Mukhopadhyay Inorganic Chemistry Frontiers 1, 599-610, 2014.

44. Limiting Nuclearity in Formation of Polynuclear Metal Complexes through [2+3] Cycloaddition:Synthesis and Magnetic Properties of Tri- and Pentanuclear Metal Complexes Generated through Bridging Tetrazolate Moiety. Manideepa Saha, Rajendar Nasani, Mriganka Das, Arup Mahata, Biswarup Pathak, Shaikh M Mobin, Luca M. Carrella, Eva Rentschler, Suman Mukhopadhyay Dalton Trans(Impact Factor: 4.097), 80, 8083-8093, 2014.

43. Room-Temperature Chemoselective Reduction of Nitro Groups Using Non-noble Metal Nanocatalysts in Water. Rohit K. Rai, Arup Mahata, Sushobhan Mukhopadhyay, Sampa Gupta, Pei-Zhou Li, Kim T. Nguyen, Yanli Zhao, Biswarup Pathak , Sanjay K. Singh Inorganic Chemistry(Impact Factor: 4.794), 53, 2904-2909, 2014.

42. Band gap engineering in huge-gap semiconductor SrZrO3 for visible-light photocatalysis. Guo, Zhonglu; Sa, Baisheng; Biswarup Pathak, Zhou, Jian; Ahuja, Rajeev; Sun, Zhimei International Journal of Hydrogen Energy (Impact Factor: 2.93), 39, 2042-2048, 2014.

41. Structural and Electrochemical aspects of Tris(ferrocenyl/phenyl-ethynyl)Phosphine Ligated Chalcogen Bridged Iron Carbonyl Clusters. Pradeep Mathur , Dhirendra Kumar Rai, Radhe Shyam Ji, Biswarup Pathak, Sathyanarayana Boodida and Mobin M Shaikh RSC Advances(Impact Factor: 3.84), 3, 26025-26034, 2013.

40. Improvement in the hydrogen desorption from MgH2 upon transition metals doping: A hybrid density functional calculations. Tanveer Hussain, Tuhina A Maark, Biswarup Pathak, R. Ahuja AIP Advances(Impact Factor: 1.59 ), 3, 102117(1-8), 2013.

39. Anion Doped NaTaO3 for Visible Light Photocatalysis. Wang, Baochang; Kanhere, Pushkar; Chen, Zhong; Nisar, Jawad Nisar, Biswarup Pathak, R. Ahuja Journal of Physical Chemistry C(Impact Factor: 4.835)117, 22518-22524, 2013.

38. Cationic-Anionic Mediated Charge Compensation on La2Ti2O7 for Visible Light Photocatalysis. Peng Liu, J. Nisar, Biswarup Pathak, R. Ahuja Physical Chemistry Chemical Physics(Impact Factor: 4.198), 15, 17150-17157, 2013.

37. Theoretical Study of Electronic Transport through DNA Nucleotides in a Double-Functionalized Graphene Nanogap. J. Prasongkit, A. Grigoriev, Biswarup Pathak, R. Ahuja, and R.H. Scheicher Journal of Physical Chemistry C(Impact Factor: 4.835), 117, 15421-15428, 2013.

36. Anion-Anion Mediated Coupling in Layered Perosvkite La2Ti2O7 for Visible Light Photocatalysis. Peng Liu*, Jawad Nisar, Baisheng Sa, Biswarup Pathak*, R. Ahuja Journal of Physical Chemistry C(Impact Factor: 4.835) 117, 13845-13852 2013.

35. Strain-induced Stabilization of Al Functionalization in Graphene Oxide Nanosheet for Enhanced NH3 Storage. Yunguo Li, Abir De Sarkar, Biswarup Pathak, Rajeev Ahuja Applied Physics Letter,(Impact Factor: 3.794), 102, 243905, 2013.

34. Stereoselective Synthesis of Highly Functionalized Tetrahydrocarbazoles through a Domino Michael-Henry Reaction: an Easy Access of Four Contiguous Chiral Centers. Pradeep Kumar Jaiswal, Soumen Biswas, Shivendra Singh, Biswarup Pathak , Shaikh M. Mobin and Sampak Samanta RSC Advances(Impact Factor: 3.84), 3, 10644, 2013.

33. Formation of (E)-[FcC(PS2(OR)2)=CH(PS2(OR)2)] (R = Me, Et, iPr) in Photolytic Reactions of Ferrocenylacetylene and [(RO)2PS2H] in Hexane/Alcohols: Experimental and DFT study. Pradeep Mathur, Radhe Shyam Ji, Biswarup Pathak, Shaikh M. Mobin Journal of Organometallic Chemistry (Impact Factor: 2.302 ), 748,46, 2013.

32. The Effect of Remote Substitution on Formation of Preferential Geometrical Isomer of cobalt(III)-tetrazolato Complexes Formed via [2+3] Cycloaddition. Manideepa Saha, Rajender Nasani, Shaikh M Mobin, Biswarup Pathak, Suman Mukhopadhyay, Inorganic Chemistry Communications 34, 62-67, 2013.( Impact Factor: 2.062 )

31. Metal-Decorated Graphene Oxide for Ammonia Adsorptions. Yunguo Li, Biswarup Pathak, Jawad Nisar, Zhao Qian and R. Ahuja, Euro Physics Letter103, 28007-280012, 2013.( Impact Factor: 2.269)

30. Energetic and Structural Analysis of N2H4BH3 Inorganic Solid and its Modified Material for Hydrogen Storage. Zhao Qian Biswarup Pathak, Rajeev Ahuja, International Journal of Hydrogen Energy 38,6718-6725, 2013. ( Impact Factor: 2.93)

29. Layered Perovskite Sr2Ta2O7 for Visible Light Photocatalysis: A First Principles Study. Peng Liu*, Jawad Nisar, Rajeev Ahuja, Biswarup Pathak*, Journal of Physical Chemistry C(Impact Factor: 4.835), 117, 5043-5050, 2013.

28. Graphene oxide as a chemically tunable 2-D material for visible-light photocatalyst applications. Xue Jiang, Jawad Nisar, Biswarup Pathak, Jijun Zha, Rajeev Ahuja Journal of Catalysis (Impact Factor: 6.002) 299, 204-213, 2013.

27. C60-Mediated Hydrogen Desorption in Li-N-H Systems. Z. Qian, S. Li, Biswarup Pathak, C. Moyses Araujo, R. Ahuja, Puru Jena Nanotechnology ( Impact Factor: 3.672) 23, 485406 (5 pages), 2012.

26. Semiconducting allotrope of graphene. Jawad Nisar, Xue Jiang, Biswarup Pathak , Jijun Zhao and R. Ahuja, Nanotechnology ,(Impact Factor: 3.672), 23, 385704 (7 pages), 2012.

25. Functionalization of graphane with alkali and alkaline-earth metals: An insulator to metallic transition. T. Hussain, Biswarup Pathak , T. A. Maark, M. Ramzan and R. Ahuja, Euro Physics Letter (Impact Factor: 2.269 ), 99, 47004-47009, 2012.



Publications from Post Doc


24. Electronic Structure, Optical Properties, and Photocatalytic Activities of LaFeO3-NaTaO3 Solid Solution. Pushkar Kanhere, Jawad Nisar, Yuxin Tang, Biswarup Pathak, Rajeev Ahuja, Jianwei Zheng, Zhong Chen Journal of Physical Chemistry C(Impact Factor: 4.835), 116, 22767-22773, 2012.

23. Double Functionalized Nanopore Embedded Gold Electrodes for Rapid DNA Sequencing. Biswarup Pathak,* H. Lofas, J. Prasongkit, A. Grigoriev, R. Ahuja, R. H. Scheicher*, Applied Physics Letter(Impact Factor: 3.794), 100, 023701(1-3), 2012. ( Cover Page Article | Selected for Virtual Journal of Nanoscale Science & Technology |** APL's 50th Anniversary Editor's Picks ** )

22. Hole Mediated Coupling on BiNbO4 for Visible Light Photocatalysis. J. Nisar,* Biswarup Pathak,* B. C. Wang, T. W. Kang, Rajeev Ahuja Physical Chemistry Chemical Physics,(Impact Factor: 4.198), 14, 4891-4897, 2012 .

21. Functionalized Boranes for Hydrogen Storage. Biswarup Pathak, K. Pradhan, T. Hussain, R. Ahuja, P. Jena ChemPhysChem,(Impact Factor: 3.36), 13, 300-304, 2012. ( Selected for ChemPhysChem's ChemViews Magazine Article )

20. Water adsorption on ZnO(10-10): the Role of Intrinsic Defects. T. Kaewmaraya, Biswarup Pathak, C. M. Araujo, A. Rosa, Rajeev Ahuja Europhysics Letter (Impact Factor: 2.269), 97, 17014 (p1-p5), 2012.(Editor's Choice).

19. Band Gap Engineering in BiNbO4 for Visible-Light Photo-Catalysis. B. C. Wang, J. Nisar, Biswarup Pathak, Rajeev Ahuja Applied Physics Letter,(Impact Factor: 3.794), 100, 182102 (1-5), 2012.

18. Excellent Catalytic Effects of Graphene Nanofibres on Hydrogen Release of Sodium Alanate. Z. Qian, S. M. Hudson, H. Raghubanshi, R. H. Scheicher,Biswarup Pathak, C.Moyses, A.Blomqvist, B. Johansson, O. Srivastava, R. Ahuja Journal of Physical Chemistry C(Impact Factor: 4.835), 116, 10861-10866, 2012.

17. Ca-doped Graphane for Hydrogen Storage. T. Hussain, Biswarup Pathak, M. Ramzan, T. A. Mark, R. Ahuja Applied Physics Letter(Impact Factor: 3.794), 100, 183902-182906, 2012.

16. Oxygen- and Nitrogen Chemisorbed Carbon Nanostructures for Z-scheme Photocatalysis Applications, Z. Qian. Biswarup Pathak, Jawad Nisar, Rajeev Ahuja, Journal of Nanoparticle Research, (Impact Factor: 2.278), 14, 895-901, 2012.

15. Screened Hybrid Density Functional Study on Sr2Nb2O7 for Visible Light Photocatalysis. J. Nisar, B. C. Wang, Biswarup Pathak, Rajeev Ahuja, Applied Physics Letter(Impact Factor: 3.794), 100, 181903-181906, 2012.

14. Hybrid Density Functional Study on SrTiO3 for visible light Photocatalysis. Peng Liu, J. Nisar, Biswarup Pathak, Rajeev Ahuja, International Journal of Hydrogen Energy,(Impact Factor:2.93), 37, 11611-11617, 2012.

13. Transverse Conductance of DNA Nucleotides in a Graphene Nanogap from first Principles. JariyaneePrasongkit, Anton Grigoriev, Biswarup Pathak, Rajeev Ahuja, Ralph H. Scheicher, Nano Letters (Impact Factor: 12.94), 11, 1941-1945, 2011.

12.Borane Derivatives: A New Class of Super-, and Hyper-halogens. Biswarup Pathak, Devleena Samanta, Rajeev Ahuja, Puru Jena, ChemPhysChem,(Impact Factor: 3.36), 12, 2423-2428, 2011.

11. Mo- and N-doped BiNbO4 for photocatalysis Applications. J. Nisar, B. C. Wang, Biswarup Pathak, R. Ahuja, Applied Physics Letter(Impact Factor: 3.794), 99, 051909-051911, 2011.

10. Ab initio Study of Lithium Doped Graphane for Hydrogen Storage. T. Hussain, Biswarup Pathak, Tuhina A. Mark, C. M.Araujo,R. H. Scheicher, R. Ahuja, Europhysics Letter(Impact Factor: 2.269), 96, 27013-27016, 2011.

9. Theoretical investigations of the structure and bonding of several transition metal complexes to probe their carbon monoxide (CO) releasing properties. Biswarup Pathak, D. Majumdar, J.Leszczynski, International Journal of Quantum Chemistry (Impact Factor: 1.396), 109, 2263-2272, 2009.



Publications from Ph. D.


8. Sigma bond Prevents Short pi-bonds: A Detailed Theoretical Study on the Compounds of Main Group and Transition Metal Complexes. Biswarup Pathak, M. Umayal,Eluvathingal D. Jemmis, Practical Aspects of Computational Chemistry: Methods, Concepts and Application Book Chapter, Springer-Link Publisher 7, 165-181, 2010.

7. Anaerobic Photocleavage of DNA in Red Light by Dicopper(II) Complexes of 3,3'-Dithiodipropionic Acidxi. D. Lahiri, T. Bhowmick, Biswarup Pathak,S. Oottikkal, A. K. Patra, S.Ramakumar, A. R Chakravarty, Inorganic Chemistry,(Impact Factor: 4.794), 48, 339-349, 2009.

6. Theoretical Study of the Reaction of B20H16 with MeCN: A Mechanistic Study for the closo/closo to closo/nido Conversion. Shameema Oottikkal, Biswarup Pathak, E. D. Jemmis, Inorganic Chemistry(Impact Factor: 4.794), 47, 4375-4382, 2008.

5. Tandem Si-C and C-H Activation for Decamethylhafnocene and Bis(trimethylsilyl)acetylene: Hafnium's Triumph over Titanium and Zirconium. T. BeIries, V. V. Burlakov, M. A. Bach, P. Arndt, W. Baumann, A. Spannenberg, U. Rosenthal, Biswarup Pathak, E. D. Jemmis, Angew. Chem. Int. Ed.(Impact Factor: 11.336), 46, 6907-6910, 2007.( VIP Article With Cover Page, C & EN News Article).

4. New Insights into the Visible-Light-Induced DNA Cleavage Activity of Dipyridoquinoxaline Complexes of Bivalent 3d-Metal Ions. M. Roy, Biswarup Pathak, A. K. Patra, E. D. Jemmis, M. Nethaji and A. R. Chakravarty, Inorganic Chemistry(Impact Factor: 4.794), 46, 11122-11132, 2007.

3. Reversal of Stability on Metalation of Pentagonal-Bipyramidal (1-MB6H72-, 1-M-2-CB5H71- and 1-M-2,4-C2B4H7) and Icosahedral (1-MB11H122-, 1-M-2-CB10H121- and 1-M-2,4-C2B9H12) Boranes (M=Al, Ga, In and Tl) : Energetics of Condensation and Relationship to Binuclear Metallocenes. Biswarup Pathak, S. Pandian, N. Hosmane, E. D. Jemmis, Journal of the American Chemical Society,(Impact Factor: 11.444), 128, 10915-10922, 2006.

2. Bond Length and Bond Multiplicity: Sigma-Bond Prevents Short pi-Bonds, E. D. Jemmis, Biswarup Pathak, R. B. King, H. F. Schafer III. Chem. Comm.(Impact Factor: 6.718), 2164-2166, 2006.

1. Condensed Two- and Three-Dimensional Aromatic Systems: A Theoretical Study on the Relative Stabilities of Isomers of CB19H16+, B20H15Cl, and B20H14Cl2 and Comparison to B12H10Cl22-, C6H4Cl2, C10H7Cl, and C10H6Cl2. E. D. Jemmis, Biswarup Pathak, A. Anoop, Inorganic Chemistry(Impact Factor: 4.794), 44, 7184-7188, 2005.


Dr. Biswarup Pathak
Associate Professor
Head, Department of Chemistry
PoD Building, Room Number: 1A-724
Phone (Office): 0731-660-3348
Email: biswarup[at]iiti.ac.in and biswarup.pathak[at]gmail.com