Tuhin Suvra Khan
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Exploring the limits: A low-pressure, low-temperature Haber–Bosch process
A Vojvodic, AJ Medford, F Studt, F Abild-Pedersen, TS Khan, T Bligaard, ...
Chemical Physics Letters 598, 108-112, 2014
On the effect of coverage-dependent adsorbate–adsorbate interactions for CO methanation on transition metal surfaces
AC Lausche, AJ Medford, TS Khan, Y Xu, T Bligaard, F Abild-Pedersen, ...
Journal of catalysis 307, 275-282, 2013
In silico search for novel methane steam reforming catalysts
Y Xu, AC Lausche, S Wang, TS Khan, F Abild-Pedersen, F Studt, ...
New Journal of Physics 15 (12), 125021, 2013
On the structure sensitivity of direct NO decomposition over low-index transition metal facets
H Falsig, J Shen, TS Khan, W Guo, G Jones, S Dahl, T Bligaard
Topics in catalysis 57 (1), 80-88, 2014
Study of the “Fast SCR”-like mechanism of H2-assisted SCR of NOx with ammonia over Ag/Al2O3
DE Doronkin, S Fogel, S Tamm, L Olsson, TS Khan, T Bligaard, ...
Applied Catalysis B: Environmental 113, 228-236, 2012
On the role of the surface oxygen species during A–H (A= C, N, O) bond activation: a density functional theory study
JS Yoo, TS Khan, F Abild-Pedersen, JK Nørskov, F Studt
Chemical Communications 51 (13), 2621-2624, 2015
Understanding trends in hydrodeoxygenation reactivity of metal and bimetallic alloy catalysts from ethanol reaction on stepped surface
F Jalid, TS Khan, FQ Mir, MA Haider
Journal of catalysis 353, 265-273, 2017
Development of 6-amyl-α-pyrone as a potential biomass-derived platform molecule
MI Alam, S Gupta, A Bohre, E Ahmad, TS Khan, B Saha, MA Haider
Green Chemistry 18 (24), 6431-6435, 2016
Mechanistic insights into the pathways of phenol hydrogenation on Pd nanostructures
G Porwal, S Gupta, S Sreedhala, J Elizabeth, TS Khan, MA Haider, ...
ACS Sustainable Chemistry & Engineering 7 (20), 17126-17136, 2019
Utility of silver nanoparticles embedded covalent organic frameworks as recyclable catalysts for the sustainable synthesis of cyclic carbamates and 2-oxazolidinones via …
S Ghosh, TS Khan, A Ghosh, AH Chowdhury, MA Haider, A Khan, ...
ACS Sustainable Chemistry & Engineering 8 (14), 5495-5513, 2020
In silico high throughput screening of bimetallic and single atom alloys using machine learning and ab initio microkinetic modelling
S Saxena, TS Khan, F Jalid, M Ramteke, MA Haider
Journal of Materials Chemistry A 8 (1), 107-123, 2020
Acid functionalized ionic liquid catalyzed transformation of non-food biomass into platform chemical and fuel additive
MI Alam, S De, TS Khan, MA Haider, B Saha
Industrial Crops and Products 123, 629-637, 2018
Sulfur poisoning and regeneration of the Ag/γ-Al2O3 catalyst for H2-assisted SCR of NOx by ammonia
DE Doronkin, TS Khan, T Bligaard, S Fogel, P Gabrielsson, S Dahl
Applied Catalysis B: Environmental 117, 49-58, 2012
Diffusion coefficient and electrochemical performance of NaVO3 anode in Li/Na batteries
M Chandra, TS Khan, R Shukla, S Ahamad, A Gupta, S Basu, MA Haider, ...
Electrochimica Acta 331, 135293, 2020
First-principle microkinetic modeling of ethanol dehydrogenation on metal catalyst surfaces in non-oxidative environment: design of bimetallic alloys
TS Khan, F Jalid, MA Haider
Topics in Catalysis 61 (18), 1820-1831, 2018
Reactivity descriptor for the retro Diels–Alder reaction of partially saturated 2-pyrones: DFT study on substituents and solvent effects
TS Khan, S Gupta, MI Alam, MA Haider
RSC advances 6 (103), 101697-101706, 2016
Understanding reaction kinetics, deprotonation and solvation of brønsted acidic protons in heteropolyacid catalyzed synthesis of biorenewable alkyl levulinates
E Ahmad, TS Khan, MI Alam, KK Pant, MA Haider
Chemical Engineering Journal 400, 125916, 2020
On the mechanism of retro-Diels–Alder reaction of partially saturated 2-pyrones to produce biorenewable chemicals
S Gupta, MI Alam, TS Khan, N Sinha, MA Haider
RSC advances 6 (65), 60433-60445, 2016
Reformulation of gasoline to replace aromatics by biomass-derived alkyl levulinates
G Shrivastav, TS Khan, M Agarwal, MA Haider
ACS Sustainable Chemistry & Engineering 5 (8), 7118-7127, 2017
Mechanistic approaches toward rational design of a heterogeneous catalyst for ring-opening and deoxygenation of biomass-derived cyclic compounds
S Gupta, MI Alam, TS Khan, MA Haider
ACS Sustainable Chemistry & Engineering 7 (12), 10165-10181, 2019
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