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Research Output 2014 2018

2018
5 Citations (Scopus)

Ferromagnetism and Half-Metallicity in a High-Band-Gap Hexagonal Boron Nitride System

Choudhuri, I. & Pathak, B., Jan 5 2018, In : ChemPhysChem. 19, 1, p. 153-161 9 p.

Research output: Contribution to journalArticle

Ferromagnetism
boron nitrides
Magnetoelectronics
ferromagnetism
metallicity
3 Citations (Scopus)

Ferromagnetism in magnesium chloride monolayer with an unusually large spin-up gap

Bhattacharyya, G., Choudhuri, I., Bhauriyal, P., Garg, P. & Pathak, B., Dec 21 2018, In : Nanoscale. 10, 47, p. 22280-22292 13 p.

Research output: Contribution to journalReview article

Magnesium Chloride
Ferromagnetism
Magnetoelectronics
Magnesium
Monolayers
5 Citations (Scopus)

High Curie temperature and half-metallicity in an atomically thin main group-based boron phosphide system: long range ferromagnetism

Bhattacharyya, G., Choudhuri, I. & Pathak, B., Jan 1 2018, In : Physical Chemistry Chemical Physics. 20, 35, p. 22877-22889 13 p.

Research output: Contribution to journalArticle

boron phosphides
Magnetoelectronics
Boron
Ferromagnetism
Curie temperature
2017
17 Citations (Scopus)

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

Garg, P., Choudhuri, I., Mahata, A. & Pathak, B., Jan 1 2017, In : Physical Chemistry Chemical Physics. 19, 5, p. 3660-3669 10 p.

Research output: Contribution to journalArticle

Energy gap
Doping (additives)
electronics
Graphite
Photocatalysts
4 Citations (Scopus)

Effect on catecholase activity and interaction with biomolecules of metal complexes containing differently tuned 5-substituted ancillary tetrazolato ligands

Saha, M., Malviya, N., Das, M., Choudhuri, I., Mobin, S. M., Pathak, B. & Mukhopadhyay, S., Jan 1 2017, In : Polyhedron. 121, p. 155-171 17 p.

Research output: Contribution to journalArticle

Coordination Complexes
Biomolecules
Bovine Serum Albumin
Metal complexes
albumins
6 Citations (Scopus)

Ferromagnetism and Half-Metallicity in Atomically Thin Holey Nitrogenated Graphene Based Systems

Choudhuri, I. & Pathak, B., Sep 6 2017, In : ChemPhysChem. 18, 17, p. 2336-2346 11 p.

Research output: Contribution to journalArticle

Graphite
Ferromagnetism
Magnetoelectronics
ferromagnetism
metallicity
7 Citations (Scopus)

Room-Temperature Magneto-dielectric Effect in LaGa 0.7 Fe 0.3 O 3+γ ; Origin and Impact of Excess Oxygen

Rai, H. M., Singh, P., Saxena, S. K., Mishra, V., Warshi, M. K., Kumar, R., Rajput, P., Sagdeo, A., Choudhuri, I., Pathak, B. & Sagdeo, P. R., Apr 3 2017, In : Inorganic Chemistry. 56, 7, p. 3809-3819 11 p.

Research output: Contribution to journalArticle

Magnetoresistance
Oxygen
room temperature
oxygen
direct current
2 Citations (Scopus)

Semiconducting phase in borophene: Role of defect and strain

Bhattacharyya, G., Mahata, A., Choudhuri, I. & Pathak, B., Sep 11 2017, In : Journal of Physics D: Applied Physics. 50, 40, 405103.

Research output: Contribution to journalArticle

Boron
boron
Defects
Monolayers
defects
14 Citations (Scopus)

Stanene based gas sensors: Effect of spin-orbit coupling

Garg, P., Choudhuri, I. & Pathak, B., Jan 1 2017, In : Physical Chemistry Chemical Physics. 19, 46, p. 31325-31334 10 p.

Research output: Contribution to journalArticle

Chemical sensors
Orbits
Gases
orbits
sensors
2016
12 Citations (Scopus)

An atomically thin ferromagnetic half-metallic pyrazine-fused Mn-porphyrin sheet: A slow spin relaxation system

Kumar, S., Choudhuri, I. & Pathak, B., Jan 1 2016, In : Journal of Materials Chemistry C. 4, 38, p. 9069-9077 9 p.

Research output: Contribution to journalArticle

Pyrazines
Porphyrins
Magnetoelectronics
Ferromagnetism
Open systems
22 Citations (Scopus)

Catalytic hydrogenation of CO2 by manganese complexes: Role of π-acceptor ligands

Rawat, K. S., Mahata, A., Choudhuri, I. & Pathak, B., Aug 4 2016, In : Journal of Physical Chemistry C. 120, 30, p. 16478-16488 11 p.

Research output: Contribution to journalArticle

Manganese
Hydrogenation
hydrogenation
manganese
Ligands
6 Citations (Scopus)

Copper complexes with a flexible piperazinyl arm: nuclearity driven catecholase activity and interactions with biomolecules

Das, M., Mandal, P., Malviya, N., Choudhuri, I., Charmier, M. A. J., Morgado, S., Mobin, S. M., Pathak, B. & Mukhopadhyay, S., Dec 16 2016, In : Journal of Coordination Chemistry. 69, 24, p. 3619-3637 19 p.

Research output: Contribution to journalArticle

Biomolecules
Copper
DNA
copper
Enzyme kinetics
10 Citations (Scopus)

Cuboctahedral: Vs. octahedral platinum nanoclusters: Insights into the shape-dependent catalytic activity for fuel cell applications

Mahata, A., Rawat, K. S., Choudhuri, I. & Pathak, B., Jan 1 2016, In : Catalysis Science and Technology. 6, 21, p. 7913-7923 11 p.

Research output: Contribution to journalArticle

Nanoclusters
Platinum
Fuel cells
Catalyst activity
Oxygen
16 Citations (Scopus)

Fe doped LaGaO 3: Good white light emitters

Singh, P., Choudhuri, I., Rai, H. M., Mishra, V., Kumar, R., Pathak, B., Sagdeo, A. & Sagdeo, P. R., Jan 1 2016, In : RSC Advances. 6, 102, p. 100230-100238 9 p.

Research output: Contribution to journalArticle

Optical band gaps
Doping (additives)
Electronic structure
Density functional theory
Photoluminescence
55 Citations (Scopus)

Hexagonal Planar CdS Monolayer Sheet for Visible Light Photocatalysis

Garg, P., Kumar, S., Choudhuri, I., Mahata, A. & Pathak, B., Apr 21 2016, In : Journal of Physical Chemistry C. 120, 13, p. 7052-7060 9 p.

Research output: Contribution to journalArticle

Photocatalysis
Monolayers
Energy barriers
extremely high frequencies
optoelectronic devices
17 Citations (Scopus)

Lewis Acid-Base Adducts for Improving the Selectivity and Sensitivity of Graphene Based Gas Sensors

Choudhuri, I., Sadhukhan, D., Garg, P., Mahata, A. & Pathak, B., Apr 22 2016, In : ACS Sensors. 1, 4, p. 451-459 9 p.

Research output: Contribution to journalArticle

Lewis Acids
Graphite
Chemical sensors
Graphene
adducts
11 Citations (Scopus)

Metal-free half-metallicity in a high energy phase C-doped gh-C34 system: a high Curie temperature planar system

Choudhuri, I., Bhattacharyya, G., Kumar, S. & Pathak, B., Jan 1 2016, In : Journal of Materials Chemistry C. 4, 48, p. 11530-11539 10 p.

Research output: Contribution to journalArticle

Magnetoelectronics
Curie temperature
Metals
Carbon nitride
Ferromagnetism
20 Citations (Scopus)

N-Heterocylic Carbene-Based Mn Electrocatalyst for Two-Electron CO2 Reduction over Proton Reduction

Rawat, K. S., Mahata, A., Choudhuri, I. & Pathak, B., Apr 28 2016, In : Journal of Physical Chemistry C. 120, 16, p. 8821-8831 11 p.

Research output: Contribution to journalArticle

electrocatalysts
Electrocatalysts
carbenes
Protons
protons
7 Citations (Scopus)

Octahedral Ni-nanocluster (Ni 85) for Efficient and Selective Reduction of Nitric Oxide (NO) to Nitrogen (N 2)

Mahata, A., Rawat, K. S., Choudhuri, I. & Pathak, B., May 9 2016, In : Scientific reports. 6, 25590.

Research output: Contribution to journalArticle

Nanoclusters
Nitric Oxide
Nitrogen
Hydrogen
Energy barriers
1 Citation (Scopus)

Role of Ti doping and Al and B vacancies in the dehydrogenation of Al(BH4)3

Choudhuri, I., Mahata, A., Rawat, K. S. & Pathak, B., Oct 1 2016, In : Journal of Chemical Sciences. 128, 10, p. 1651-1662 12 p.

Research output: Contribution to journalArticle

Dehydrogenation
Vacancies
Doping (additives)
Borohydrides
DOS
23 Citations (Scopus)

Single-layered platinum nanocage: A highly selective and efficient catalyst for fuel cells

Mahata, A., Rawat, K. S., Choudhuri, I. & Pathak, B., Jan 1 2016, In : Journal of Materials Chemistry A. 4, 33, p. 12756-12767 12 p.

Research output: Contribution to journalArticle

Platinum
Fuel cells
Catalysts
Energy barriers
Oxygen
11 Citations (Scopus)

TM@gt-C3N3 monolayers: High-temperature ferromagnetism and high anisotropy

Choudhuri, I., Garg, P. & Pathak, B., Jan 1 2016, In : Journal of Materials Chemistry C. 4, 35, p. 8253-8262 10 p.

Research output: Contribution to journalArticle

Magnetoelectronics
Ferromagnetism
Magnetic anisotropy
Monolayers
Anisotropy
27 Citations (Scopus)

Transition-metal embedded carbon nitride monolayers: High-temperature ferromagnetism and half-metallicity

Choudhuri, I., Kumar, S., Mahata, A., Rawat, K. S. & Pathak, B., Aug 7 2016, In : Nanoscale. 8, 29, p. 14117-14126 10 p.

Research output: Contribution to journalArticle

Magnetoelectronics
Carbon nitride
Ferromagnetism
Curie temperature
Transition metals
2015
11 Citations (Scopus)

A cuboctahedral platinum (Pt79) nanocluster enclosed by well defined facets favours di-sigma adsorption and improves the reaction kinetics for methanol fuel cells

Mahata, A., Choudhuri, I. & Pathak, B., Aug 28 2015, In : Nanoscale. 7, 32, p. 13438-13451 14 p.

Research output: Contribution to journalArticle

Methanol fuels
Nanoclusters
Platinum
Reaction kinetics
Methanol
52 Citations (Scopus)

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

Choudhuri, I., Patra, N., Mahata, A., Ahuja, R. & Pathak, B., Nov 5 2015, In : Journal of Physical Chemistry C. 119, 44, p. 24827-24836 10 p.

Research output: Contribution to journalArticle

Graphite
Chemical sensors
Graphene
graphene
Gases
34 Citations (Scopus)

Targeted water soluble copper-tetrazolate complexes: Interactions with biomolecules and catecholase like activities

Saha, M., Das, M., Nasani, R., Choudhuri, I., Yousufuddin, M., Nayek, H. P., Shaikh, M. M., Pathak, B. & Mukhopadhyay, S., Jan 1 2015, In : Dalton Transactions. 44, 46, p. 20154-20167 14 p.

Research output: Contribution to journalArticle

Biomolecules
Copper
Water
DNA
Enzyme kinetics
2014
1 Citation (Scopus)

Additives in protic-hydridic hydrogen storage compounds: A molecular study

Choudhuri, I., Mahata, A. & Pathak, B., Jan 1 2014, In : RSC Advances. 4, 95, p. 52785-52795 11 p.

Research output: Contribution to journalArticle

Hydrogen storage
Hydrogen
Dehydrogenation
48 Citations (Scopus)

Direct vs. Indirect pathway for nitrobenzene reduction reaction on a Ni catalyst surface: A density functional study

Mahata, A., Rai, R. K., Choudhuri, I., Singh, S. K. & Pathak, B., Nov 13 2014, In : Physical Chemistry Chemical Physics. 16, 47, p. 26365-26374 10 p.

Research output: Contribution to journalArticle

nitrobenzenes
catalysts
Catalysts
aniline
Adsorption