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1

Semiconducting allotrope of graphene

Nisar, Jawad, Jiang, Xue, Pathak, Biswarup, Zhao, Jijun, Kang, Tae Won, Ahuja, Rajeev

Journal:

Year:

2012

Language:

english

File:

PDF, 912 KB

english, 2012

2

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

Journal:

ACS Applied Nano Materials

Year:

2019

Language:

english

File:

PDF, 1.48 MB

english, 2019

3

Computational Insights into Selective CO2 Hydrogenation to CH3OH Catalysed by ZnO Based Nanocages

Mandal, Shyama Charan, Pathak, Biswarup

Journal:

Materials Advances

Year:

2020

File:

PDF, 1.19 MB

2020

4

A computational study of electrocatalytic CO2 reduction by Mn(I) complexes: Role of bipyridine substituents

Rawat, Kuber Singh, Mandal, Shyama Charan, Pathak, Biswarup

Journal:

Electrochimica Acta

Year:

2019

Language:

english

File:

PDF, 875 KB

english, 2019

5

The effect of remote substitution on the formation of preferential isomers of cobalt( iii )-tetrazolate complexes by microwave assisted cycloaddition

Saha, Manideepa, Nasani, Rajendar, Das, Mriganka, Mobin, Shaikh M., Pathak, Biswarup, Mukhopadhyay, Suman

Journal:

Inorganic Chemistry Frontiers

Year:

2014

Language:

english

File:

PDF, 2.58 MB

english, 2014

6

Band gap engineering in huge-gap semiconductor SrZrO3 for visible-light photocatalysis

Guo, Zhonglu, Sa, Baisheng, Pathak, Biswarup, Zhou, Jian, Ahuja, Rajeev, Sun, Zhimei

Journal:

International Journal of Hydrogen Energy

Year:

2014

Language:

english

File:

PDF, 1.44 MB

english, 2014

7

Electronic Transport through DNA Nucleotides in Atomically Thin Phosphorene Electrodes for Rapid DNA Sequencing

Kumawat, Rameshwar L, Garg, Priyanka, Kumar, Sourabh, Pathak, Biswarup

Journal:

ACS Applied Materials & Interfaces

Year:

2018

Language:

english

File:

PDF, 980 KB

english, 2018

8

Transverse Conductance of DNA Nucleotides in a Graphene Nanogap from First Principles

Prasongkit, Jariyanee, Grigoriev, Anton, Pathak, Biswarup, Ahuja, Rajeev, Scheicher, Ralph H.

Journal:

Year:

2011

Language:

english

File:

PDF, 2.35 MB

english, 2011

9

First-Principles Study of Magnesium Peroxide Nucleation for Mg-Air Battery

Bhauriyal, Preeti, Rawat, Kuber Singh, Bhattacharyya, Gargee, Garg, Priyanka, Pathak, Biswarup

Journal:

Chemistry – An Asian Journal

Year:

2018

Language:

english

File:

PDF, 1.71 MB

english, 2018

10

Enhanced Lewis acid-base adducts in doped stanene: Sensing and photocatalysis

Garg, Priyanka, Bhattacharyya, Gargee, Bhauriyal, Preeti, Pathak, Biswarup

Journal:

Applied Surface Science

Year:

2019

Language:

english

File:

PDF, 2.64 MB

english, 2019

11

Bond length and bond multiplicity: ?-bond prevents short ?-bonds

Jemmis, Eluvathingal D., Pathak, Biswarup, King, R. Bruce, Schaefer III, Henry F.

Journal:

Chemical Communications

Year:

2006

Language:

english

File:

PDF, 374 KB

english, 2006

12

The effect of remote substitution on formation of preferential geometrical isomer of cobalt(III)–tetrazolato complexes formed via [2+3] cycloaddition

Saha, Manideepa, Nasani, Rajendar, Mobin, Shaikh M., Pathak, Biswarup, Mukhopadhyay, Suman

Journal:

Inorganic Chemistry Communications

Year:

2013

Language:

english

File:

PDF, 842 KB

english, 2013

13

Cardanol Benzoxazines – Interplay of Oxazine Functionality (Mono to Tetra) and Properties

Shukla, Swapnil, Mahata, Arup, Pathak, Biswarup, Lochab, Bimlesh

Journal:

Year:

2015

Language:

english

File:

PDF, 1.78 MB

english, 2015

14

Borane Derivatives: A New Class of Super- and Hyperhalogens

Biswarup Pathak, Devleena Samanta , Prof. Dr. Rajeev Ahuja, Prof. Dr. Purusottam Jena

Journal:

Year:

2011

Language:

english

File:

PDF, 845 KB

english, 2011

15

Cationic–anionic mediated charge compensation on La2Ti2O7 for visible light photocatalysis

Liu, Peng, Nisar, Jawad, Pathak, Biswarup, Ahuja, Rajeev

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.34 MB

english, 2013

16

Anaerobic Photocleavage of DNA in Red Light by Dicopper(II) Complexes of 3,3′-Dithiodipropionic Acid

Lahiri, Debojyoti, Bhowmick, Tuhin, Pathak, Biswarup, Shameema, Oottikkal, Patra, Ashis K., Ramakumar, Suryanarayanarao, Chakravarty, Akhil R.

Journal:

Inorganic Chemistry

Year:

2009

Language:

english

File:

PDF, 1.80 MB

english, 2009

17

Reversal of Stability on Metalation of Pentagonal-Bipyramidal (1-MB 6 H 72-, 1-M-2-CB 5 H 71-, and 1-M-2,4-C 2 B 4 H 7 ) and Icosahedral (1-MB 11 H 122-, 1-M-2-CB 10 H 121-, and 1-M-2,4-C 2

Pathak, Biswarup, Pandian, Shanthi, Hosmane, Narayan, Jemmis, Eluvathingal D.

Journal:

Journal of the American Chemical Society

Year:

2006

Language:

english

File:

PDF, 223 KB

english, 2006

18

Single-layered Platinum Nanocage: A Highly Selective and Efficient Catalyst for Fuel Cell

Mahata, Arup, Rawat, Kuber Singh, Choudhuri, Indrani, Pathak, Biswarup

Journal:

Journal of Materials Chemistry A

Year:

2016

Language:

english

File:

PDF, 1.61 MB

english, 2016

19

High-energy-density dual-ion battery for stationary storage of electricity using concentrated potassium fluorosulfonylimide

Kravchyk, Kostiantyn V., Bhauriyal, Preeti, Piveteau, Laura, Guntlin, Christoph P., Pathak, Biswarup, Kovalenko, Maksym V.

Journal:

Nature Communications

Year:

2018

Language:

english

File:

PDF, 2.22 MB

english, 2018

20

Zn( ii )–nucleobase metal–organic nanofibers and nanoflowers: synthesis and photocatalytic application

Sharma, Bhagwati, Mahata, Arup, Mandani, Sonam, Thakur, Neha, Pathak, Biswarup, Sarma, Tridib K.

Journal:

New Journal of Chemistry

Year:

2018

Language:

english

File:

PDF, 3.16 MB

english, 2018

21

Zone Specific Crystallization and Porosity Directed Scaling Marker for the Catalytic Efficacy of Au-Ag Alloy Nanoparticles

De, Sandip Kumar, Mondal, Subrata, Roy, Abhijit, Kumar, Sourabh, Mukherjee, Manabendra, Das Chakraborty, Sudeshna, Sen, Pintu, Pathak, Biswarup, Satpati, Biswarup, Mukhopadhyay, Mrinmay Kumar, Senapat

Journal:

ACS Applied Nano Materials

Year:

2019

Language:

english

File:

PDF, 2.67 MB

english, 2019

22

Bimetallic Core-Based Cuboctahedral Core-Shell Nanocluster for Hydrogen Peroxide (2e- reduction) over Water (4e- reduction) Formation: Role of Core Metals

Mahata, Arup, Pathak, Biswarup

Journal:

Year:

2017

Language:

english

File:

PDF, 1.15 MB

english, 2017

23

Crystal-defect-induced facet-dependent electrocatalytic activity of 3D gold nanoflowers for the selective nanomolar detection of ascorbic acid

De, Sandip Kumar, Mondal, Subrata, Sen, Pintu, Pal, Uttam, Pathak, Biswarup, Rawat, kuber Singh, Bardhan, Munmun, Bhattacharya, Maireyee, Satpati, Biswarup, De, Amitabha, Senapati, Dulal

Journal:

Year:

2018

Language:

english

File:

PDF, 1.84 MB

english, 2018

24

BCN Monolayer for High Capacity Al based Dual-Ion Batteries

Saini, Hariom, Das, Sandeep, Pathak, Biswarup

Journal:

Materials Advances

Year:

2020

File:

PDF, 1.12 MB

2020

25

Metal-decorated graphene oxide for ammonia adsorption

Li, Yunguo, Pathak, Biswarup, Nisar, Jawad, Qian, Zhao, Ahuja, Rajeev

Journal:

EPL (Europhysics Letters)

Year:

2013

Language:

english

File:

PDF, 770 KB

english, 2013

26

Chemical Detoxification of Organomercurials

Banerjee, Mainak, Karri, Ramesh, Rawat, Kuber Singh, Muthuvel, Karthick, Pathak, Biswarup, Roy, Gouriprasanna

Journal:

Angewandte Chemie International Edition

Year:

2015

Language:

english

File:

PDF, 1.25 MB

english, 2015

27

Frontispiece: Protection of Endogenous Thiols against Methylmercury with Benzimidazole-Based Thione by Unusual Ligand-Exchange Reactions

Banerjee, Mainak, Karri, Ramesh, Chalana, Ashish, Das, Ranajit, Rai, Rakesh Kumar, Rawat, Kuber Singh, Pathak, Biswarup, Roy, Gouriprasanna

Journal:

Chemistry - A European Journal

Year:

2017

File:

PDF, 803 KB

2017

28

A Computational Study of a Single-Walled Carbon-Nanotube-Based Ultrafast High-Capacity Aluminum Battery

Bhauriyal, Preeti, Mahata, Arup, Pathak, Biswarup

Journal:

Chemistry – An Asian Journal

Year:

2017

File:

PDF, 4.45 MB

2017

29

Electronic Transport through DNA Nucleotides in BC 3 Nanogap for Rapid DNA Sequencing

Kumawat, Rameshwar L., Garg, Priyanka, Bhattacharyya, Gargee, Pathak, Biswarup

Journal:

ACS Applied Electronic Materials

Year:

2020

File:

PDF, 1.38 MB

2020

30

Computational insights into electrocatalytic CO2 reduction facilitated by Mn(I) half sandwich-based catalysts: Role of substitution and solvent

Mandal, Shyama Charan, Pathak, Biswarup

Journal:

Electrochimica Acta

Year:

2021

File:

PDF, 2.22 MB

2021

31

Condensed Two- and Three-Dimensional Aromatic Systems: A Theoretical Study on the Relative Stabilities of Isomers of CB 19 H 16+ , B 20 H 15 Cl, and B 20 H 14 Cl 2 and Comparison to B 12 H 10 Cl 22- , C 6 H 4 Cl 2

Jemmis, Eluvathingal D., Pathak, Biswarup, Anoop, Anakuthil

Journal:

Inorganic Chemistry

Year:

2005

Language:

english

File:

PDF, 159 KB

english, 2005

32

B-N@Graphene: Highly Sensitive and Selective Gas Sensor

Choudhuri, Indrani, Patra, Nandini, Mahata, Arup, Ahuja, Rajeev, Pathak, Biswarup

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 1.27 MB

english, 2015

33

TM@gt-C 3 N 3 monolayers: high-temperature ferromagnetism and high anisotropy

Choudhuri, Indrani, Garg, Priyanka, Pathak, Biswarup

Journal:

Journal of Materials Chemistry C

Year:

2016

Language:

english

File:

PDF, 2.24 MB

english, 2016

34

Theoretical Insights into the Charge and Discharge Processes in Aluminium-Sulfur Batteries

Bhauriyal, Preeti, Das, Sandeep, Pathak, Biswarup

Journal:

The Journal of Physical Chemistry C

Year:

2020

File:

PDF, 909 KB

2020

35

Functionalized Carbon Nanotube Electrodes for Controlled DNA Sequencing

Kumawat, Rameshwar L., Pathak, Biswarup

Journal:

Nanoscale Advances

Year:

2020

File:

PDF, 2.60 MB

2020

36

Synergistic Effect of Bridging Thiolate and Hub Atoms for the Aromaticity Driven Symmetry Breaking in Atomically Precise Gold Nanocluster

Maman, Manju P., Nair, Akhil S., Abdul Hakkim Nazeeja, Asif Mohammed, Pathak, Biswarup, Mandal, Sukhendu

Journal:

The Journal of Physical Chemistry Letters

Year:

2020

File:

PDF, 2.33 MB

2020

37

Functionalized Boranes for Hydrogen Storage

Biswarup Pathak, Kalpataru Pradhan, Tanveer Hussain, Rajeev Ahuja, Prof. Dr. Purusottam Jena

Journal:

Year:

2012

Language:

english

File:

PDF, 306 KB

english, 2012

38

Ab initio study of lithium-doped graphane for hydrogen storage

Hussain, Tanveer, Pathak, Biswarup, Adit Maark, Tuhina, Moyses Araujo, Carlos, Scheicher, Ralph H., Ahuja, Rajeev

Journal:

EPL (Europhysics Letters)

Year:

2011

Language:

english

File:

PDF, 593 KB

english, 2011

39

Improvement in the hydrogen desorption from MgH2 upon transition metals doping: A hybrid density functional calculations

Hussain, Tanveer, Maark, Tuhina Adit, Pathak, Biswarup, Ahuja, Rajeev

Journal:

Year:

2013

Language:

english

File:

PDF, 1.53 MB

english, 2013

40

Atomically Thin Ferromagnetic Half-Metallic Pyrazine-Fused Mn-Porphyrin Sheet: A Slow Spin Relaxation System

Kumar, Sourabh, Choudhuri, Indrani, Pathak, Biswarup

Journal:

Journal of Materials Chemistry C

Year:

2016

Language:

english

File:

PDF, 1.88 MB

english, 2016

41

Catalytic Upgrading of Ethanol to n-Butanol using Aliphatic Mn-PNP Complex: Theoretical Insights on Reaction Mechanisms and Product Selectivity

Rawat, Kuber Singh, Mandal, Shyama Charan, Bhauriyal, Preeti, Garg, Priyanka, Pathak, Biswarup

Journal:

Catalysis Science & Technology

Year:

2019

File:

PDF, 1.54 MB

2019

42

Correction to Anaerobic Photocleavage of DNA in Red Light by Dicopper(II) Complexes of 3,3′-Dithiodipropionic Acid

Lahiri, Debojyoti, Bhowmick, Tuhin, Pathak, Biswarup, Shameema, Oottikkal, Patra, Ashis K., Ramakumar, Suryanarayanarao, Chakravarty, Akhil R.

Journal:

Inorganic Chemistry

Year:

2019

Language:

english

File:

PDF, 822 KB

english, 2019

43

Computational Insights into Working Mechanism of LiPF6-Graphite Dual-Ion Battery

Kumar, Sumit, Bhauriyal, Preeti, Pathak, Biswarup

Journal:

The Journal of Physical Chemistry C

Year:

2019

Language:

english

File:

PDF, 945 KB

english, 2019

44

Porphyrin Nanoribbon Based Spin Filtering Device

Bhattacharyya, Gargee, Kumawat, Rameshwar L., Pathak, Biswarup

Journal:

Physical Chemistry Chemical Physics

Year:

2020

File:

PDF, 3.27 MB

2020

45

Defects Engineering on Ceria and CâC Coupling Reactions Using [Au 11 (PPh 3 ) 7 I 3 ] Nanocluster: A Combined Experimental and Theoretical Study

Das, Anish Kumar, Mukherjee, Sayani, R, Sreehari S., Nair, Akhil S., Bhandary, Subhrajyoti, Chopra, Deepak, Sanyal, Dirtha, Pathak, Biswarup, Mandal, Sukhendu

Journal:

Year:

2020

File:

PDF, 6.23 MB

2020

46

Catalytic Hydrogenation of CO2 by Fe-Complexes Containing Pendant Amines: Role of Water and Base

Rawat, Kuber Singh, Mahata, Arup, Pathak, Biswarup

Journal:

The Journal of Physical Chemistry C

Year:

2016

Language:

english

File:

PDF, 1.79 MB

english, 2016

47

Band gap opening in stanene induced by patterned B–N doping

Garg, Priyanka, Choudhuri, Indrani, Mahata, Arup, Pathak, Biswarup

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 2.48 MB

english, 2017

48

Hexagonal BC 3 Electrode for a High-Voltage Al-Ion Battery

Bhauriyal, Preeti, Mahata, Arup, Pathak, Biswarup

Journal:

The Journal of Physical Chemistry C

Year:

2017

Language:

english

File:

PDF, 1.49 MB

english, 2017

49

Single-walled Carbon Nanotube Based Ultrafast High Capacity Al-ion Battery

Bhauriyal, Preeti, Mahata, Arup, Pathak, Biswarup

Journal:

Chemistry – An Asian Journal

Year:

2017

Language:

english

File:

PDF, 1.63 MB

english, 2017

50

One Dimensional CdS Nanotube vs CdS Bulk Structure for Photocatalytic Water Splitting: Role of Dimensionality

Garg, Priyanka, Bhauriyal, Preeti, Mahata, Arup, Rawat, Kuber Singh, Pathak, Biswarup

Journal:

Year:

2018

Language:

english

File:

PDF, 1.87 MB

english, 2018

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