Biswarup Pathak
IIT Inodre
Faculty Member, Chemistry
India
My co-authors include
Professor Jerzy Leszczynski
Dr Uttam Pal
Professor Pankaj R Sagdeo
My Publications
Multilayered Platinum Nanotube for Oxygen Reduction in a Fuel Cell Cathode: Origin of A...
ACS Applied Energy Materials
July 2018
The significance of acid-base properties in the key ligand for $$\hbox {CO}_{2}$$CO2 hy...
Journal of Chemical Sciences
June 2018
Graphene-like Carbon–Nitride Monolayer: A Potential Anode Material for Na- and K-Ion Ba...
The Journal of Physical Chemistry C
January 2018
Topologically protected hybrid states in graphene–stanene–graphene heterojunctions
Journal of Materials Chemistry C
January 2018
Flexible proton-responsive ligand-based Mn(i) complexes for CO2 hydrogenation: a DFT study
Physical Chemistry Chemical Physics
January 2018
Crystal-defect-induced facet-dependent electrocatalytic activity of 3D gold nanoflowers...
Nanoscale
January 2018
Electron-rich graphite-like electrode: stability vs. voltage for Al batteries
Journal of Materials Chemistry A
January 2018
High Curie temperature and half-metallicity in an atomically thin main group-based boro...
Physical Chemistry Chemical Physics
January 2018
Ferromagnetism and Half-Metallicity in a High-Band-Gap Hexagonal Boron Nitride System
ChemPhysChem
November 2017
Ferromagnetism and Half-Metallicity in Atomically Thin Holey Nitrogenated Graphene Base...
ChemPhysChem
July 2017
Cover Picture: A Computational Study of a Single-Walled Carbon-Nanotube-Based Ultrafast...
Chemistry - An Asian Journal
July 2017
A Computational Study of a Single-Walled Carbon-Nanotube-Based Ultrafast High-Capacity ...
Chemistry - An Asian Journal
July 2017
Hexagonal BC3 Electrode for a High-Voltage Al-Ion Battery
The Journal of Physical Chemistry C
April 2017
Room-Temperature Magneto-dielectric Effect in LaGa0.7Fe0.3O3+γ; Origin and Impact of Ex...
Inorganic Chemistry
March 2017
Effect on catecholase activity and interaction with biomolecules of metal complexes con...
Polyhedron
January 2017
Protection of Endogenous Thiols Against Methylmercury by Benzimidazole-based Thione via...
Chemistry - A European Journal
January 2017
Band gap opening in stanene induced by patterned B–N doping
Physical Chemistry Chemical Physics
January 2017
A free-standing platinum monolayer as an efficient and selective catalyst for the oxyge...
Journal of Materials Chemistry A
January 2017
The staging mechanism of AlCl4 intercalation in a graphite electrode for an aluminium-i...
Physical Chemistry Chemical Physics
January 2017
Aliphatic Mn–PNP complexes for the CO2 hydrogenation reaction: a base free mechanism
Catalysis Science & Technology
January 2017
Bimetallic core-based cuboctahedral core–shell nanoclusters for the formation of hydrog...
Nanoscale
January 2017
Exploiting Le Chatelier's principle for a one-pot synthesis of nontoxic HHogGNPs with t...
Chemical Communications
January 2017
Stanene based gas sensors: effect of spin–orbit coupling
Physical Chemistry Chemical Physics
January 2017
Catalytic Hydrogenation of CO2 by Fe Complexes Containing Pendant Amines: Role of Water...
The Journal of Physical Chemistry C
December 2016
Pt3Ti (Ti19@Pt60)-Based Cuboctahedral Core–Shell Nanocluster Favors a Direct over Indir...
ACS Energy Letters
October 2016
Copper complexes with a flexible piperazinyl arm: nuclearity driven catecholase activit...
Journal of Coordination Chemistry
September 2016
Role of Ti doping and Al and B vacancies in the dehydrogenation of Al(BH4)3
Journal of Chemical Sciences
September 2016
Catalytic Hydrogenation of CO2by Manganese Complexes: Role of π-Acceptor Ligands
The Journal of Physical Chemistry C
August 2016
First principles design of Li functionalized hydrogenated h-BN nanosheet for hydrogen s...
International Journal of Hydrogen Energy
August 2016
Troponate/Aminotroponate Ruthenium–Arene Complexes: Synthesis, Structure, and Ligand-Tu...
Inorganic Chemistry
July 2016
Macromol. Chem. Phys. 12/2016
Macromolecular Chemistry and Physics
June 2016
Octahedral Ni-nanocluster (Ni85) for Efficient and Selective Reduction of Nitric Oxide ...
Scientific Reports
May 2016
Kinetics behind a Strategy for Modulation of Sustainable Benzoxazines: Experimental Stu...
Macromolecular Chemistry and Physics
May 2016
N-Heterocylic Carbene-Based Mn Electrocatalyst for Two-Electron CO2Reduction over Proto...
The Journal of Physical Chemistry C
April 2016
Lewis Acid–Base Adducts for Improving the Selectivity and Sensitivity of Graphene Based...
ACS Sensors
April 2016
Hexagonal Planar CdS Monolayer Sheet for Visible Light Photocatalysis
The Journal of Physical Chemistry C
April 2016
Access to highly active Ni–Pd bimetallic nanoparticle catalysts for C–C coupling reactions
Catalysis Science & Technology
January 2016
An atomically thin ferromagnetic half-metallic pyrazine-fused Mn-porphyrin sheet: a slo...
Journal of Materials Chemistry C
January 2016
Coordination polymer hydrogels through Ag(i)-mediated spontaneous self-assembly of unsu...
RSC Advances
January 2016
Cuboctahedral vs. octahedral platinum nanoclusters: insights into the shape-dependent c...
Catalysis Science & Technology
January 2016
Fe doped LaGaO3: good white light emitters
RSC Advances
January 2016
Single-layered platinum nanocage: a highly selective and efficient catalyst for fuel cells
Journal of Materials Chemistry A
January 2016
TM@gt-C3N3 monolayers: high-temperature ferromagnetism and high anisotropy
Journal of Materials Chemistry C
January 2016
Transition-metal embedded carbon nitride monolayers: high-temperature ferromagnetism an...
Nanoscale
January 2016
B–N@Graphene: Highly Sensitive and Selective Gas Sensor
The Journal of Physical Chemistry C
November 2015
Innenrücktitelbild: Chemical Detoxification of Organomercurials (Angew. Chem. 32/2015)
Angewandte Chemie International Edition
July 2015
Inside Back Cover: Chemical Detoxification of Organomercurials (Angew. Chem. Int. Ed. 3...
Angewandte Chemie International Edition
July 2015
Chemical Detoxification of Organomercurials
Angewandte Chemie International Edition
July 2015
Chemical Detoxification of Organomercurials
Angewandte Chemie International Edition
July 2015
A cuboctahedral platinum (Pt79) nanocluster enclosed by well defined facets favours di-...
Nanoscale
January 2015
Star shaped ferrocenyl substituted triphenylamines
RSC Advances
January 2015
Cardanol benzoxazines – interplay of oxazine functionality (mono to tetra) and properties
RSC Advances
January 2015
Targeted water soluble copper–tetrazolate complexes: interactions with biomolecules and...
Dalton Transactions
January 2015
Direct vs. indirect pathway for nitrobenzene reduction reaction on a Ni catalyst surfac...
Physical Chemistry Chemical Physics
October 2014
Room-Temperature Chemoselective Reduction of Nitro Groups Using Non-noble Metal Nanocat...
Inorganic Chemistry
March 2014
Band gap engineering in huge-gap semiconductor SrZrO3 for visible-light photocatalysis
International Journal of Hydrogen Energy
February 2014
Limiting nuclearity in formation of polynuclear metal complexes through [2 + 3] cycload...
Dalton Transactions
January 2014
The effect of remote substitution on the formation of preferential isomers of cobalt(ii...
Inorganic Chemistry Frontiers
January 2014
Additives in protic–hydridic hydrogen storage compounds: a molecular study
RSC Advances
January 2014
Formation of (E)-[FcC(PS2(OR)2)CH(PS2(OR)2)] (R = Me, Et, iPr) in photolytic reactions ...
Journal of Organometallic Chemistry
December 2013
Anion-Doped NaTaO 3 for Visible Light Photocatalysis
The Journal of Physical Chemistry C
November 2013
The effect of remote substitution on formation of preferential geometrical isomer of co...
Inorganic Chemistry Communications
August 2013
Theoretical Study of Electronic Transport through DNA Nucleotides in a Double-Functiona...
The Journal of Physical Chemistry C
July 2013
Anion–Anion Mediated Coupling in Layered Perovskite La 2 Ti 2 O 7 for Visible Light Ph...
The Journal of Physical Chemistry C
July 2013
Metal-decorated graphene oxide for ammonia adsorption
EPL (Europhysics Letters)
July 2013
Strain-induced stabilization of Al functionalization in graphene oxide nanosheet for en...
Frontiers in Human Neuroscience
June 2013
Energetic and structural analysis of N2H4BH3 inorganic solid and its modified material ...
International Journal of Hydrogen Energy
May 2013
Layered Perovskite Sr 2 Ta 2 O 7 for Visible Light Photocatalysis: A First Principles ...
The Journal of Physical Chemistry C
March 2013
Graphene oxide as a chemically tunable 2-D material for visible-light photocatalyst app...
Journal of Catalysis
March 2013
Cationic–anionic mediated charge compensation on La2Ti2O7 for visible light photocatalysis
Physical Chemistry Chemical Physics
January 2013
Improvement in the hydrogen desorption from MgH2 upon transition metals doping: A hybri...
AIP Advances
January 2013
Structural and electrochemical aspects of tris(ferrocenyl/phenyl-ethynyl)phosphine liga...
RSC Advances
January 2013
Stereoselective synthesis of highly functionalized tetrahydrocarbazoles through a domin...
RSC Advances
January 2013
C 60 -mediated hydrogen desorption in Li–N–H systems
Nanotechnology
November 2012
Electronic Structure, Optical Properties, and Photocatalytic Activities of LaFeO 3 –Na...
The Journal of Physical Chemistry C
November 2012
Semiconducting allotrope of graphene
Nanotechnology
September 2012
Hybrid density functional study on SrTiO3 for visible light photocatalysis
International Journal of Hydrogen Energy
August 2012
Oxygen- and nitrogen-chemisorbed carbon nanostructures for Z-scheme photocatalysis appl...
Journal of Nanoparticle Research
July 2012
Excellent Catalytic Effects of Graphene Nanofibers on Hydrogen Release of Sodium alanate
The Journal of Physical Chemistry C
May 2012
Hole mediated coupling in Sr2Nb2O7 for visible light photocatalysis
Physical Chemistry Chemical Physics
January 2012
Double-functionalized nanopore-embedded gold electrodes for rapid DNA sequencing
Frontiers in Human Neuroscience
January 2012
Functionalized Boranes for Hydrogen Storage
ChemPhysChem
November 2011
Ab initio study of lithium-doped graphane for hydrogen storage
EPL (Europhysics Letters)
October 2011
Borane Derivatives: A New Class of Super- and Hyperhalogens
ChemPhysChem
July 2011
Transverse Conductance of DNA Nucleotides in a Graphene Nanogap from First Principles
Nano Letters
May 2011
Anaerobic Photocleavage of DNA in Red Light by Dicopper(II) Complexes of 3,3′-Dithiodip...
Inorganic Chemistry
January 2009
σ-Bond Prevents Short π-Bonds: A Detailed Theoretical Study on the Compounds of Main Gr...
January 2009
Theoretical investigations of the structure and bonding of several transition metal com...
International Journal of Quantum Chemistry
January 2009
Theoretical Study of the Reaction of B 20 H 16 with MeCN: Closo / Closo to Closo / Nid...
Inorganic Chemistry
May 2008
New Insights into the Visible-Light-Induced DNA Cleavage Activity of Dipyridoquinoxalin...
Inorganic Chemistry
December 2007
Tandem SiC and CH Activation for Decamethylhafnocene and Bis(trimethylsilyl)acetylene
Angewandte Chemie International Edition
September 2007
Tandem-Aktivierung von Si-C- und C-H-Bindungen bei Decamethylhafnocen und Bis(trimethyl...
Angewandte Chemie
September 2007
Cover Picture: Tandem SiC and CH Activation for Decamethylhafnocene and Bis(trimethyl...
Angewandte Chemie International Edition
September 2007
Titelbild: Tandem-Aktivierung von Si-C- und C-H-Bindungen bei Decamethylhafnocen und Bi...
Angewandte Chemie
September 2007
Reversal of Stability on Metalation of Pentagonal-Bipyramidal (1-MB6H72-,1-M-2-CB5H71-,...
Journal of the American Chemical Society
August 2006
Bond length and bond multiplicity: σ-bond prevents short π-bonds
Chemical Communications
January 2006
Condensed Two- and Three-Dimensional Aromatic Systems: A Theoretical Study on the Rel...
Inorganic Chemistry
October 2005
