Abhishek Kumar Mishra

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NH de LeeuwProfessor of Computational Chemistry, University of Leeds, UK; Utrecht University, The NetherlandsVerified email at leeds.ac.uk
Postica VasileTechnical University of MoldovaVerified email at mib.utm.md
Umesh V WaghmareJNCASRVerified email at jncasr.ac.in
Yogendra Kumar MishraProfessor-Smart Materials, Mads Clausen Institute, University of Southern DenmarkVerified email at mci.sdu.dk
Poonam TandonLucknow UniversityVerified email at lkouniv.ac.in
C. N. R. RaoProfessor of ChemistryVerified email at jncasr.ac.in
Cretu VasiliiAssistant Professor in Electronics at the Technical University of MoldovaVerified email at mib.utm.md
Sundaresan AthinarayananProfessor in Chemistry and Physics of Materials Unit, JNCASRVerified email at jncasr.ac.in
Alberto RoldanLecturer at Cardiff UniveristyVerified email at cardiff.ac.uk
Dr. K PramodaAssistant Professor, Centre for Nano and Material Sciences, Jain University,Verified email at jainuniversity.ac.in
Sharmila ShirodkarHoward UniversityVerified email at howard.edu
Dr. Shihabudheen Mundampra Maliye...Indian Institute of Technology Tirupati, IndiaVerified email at iittp.ac.in
Summayya KouserPostdoctoral Research Associate, Pacific Northwest National LabVerified email at pnnl.gov
Kalyan RaidongiaIndian Institute of Technology GuwahatiVerified email at iitg.ernet.in
piyush chaturbedyResearch Associate, Department of Pharmacology, University of CambridgeVerified email at jncasr.ac.in
Nitesh KumarS. N. Bose National Centre for Basic Sciences

Abhishek Kumar Mishra

University of Petroleum and Energy Studies (UPES), University College London, London. JNCASR

Verified email at ddn.upes.ac.in

Computational Material Science Density functional Theory Electronic Structure Calculations Polymers Vibrational Spectroscopy


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Graphene: a reusable substrate for unprecedented adsorption of pesticides SM Maliyekkal, TS Sreeprasad, D Krishnan, S Kouser, AK Mishra, ... small 9 (2), 273-283, 2013	241	2013
CuO Surfaces and CO₂ Activation: A Dispersion-Corrected DFT+U Study AK Mishra, A Roldan, NH de Leeuw The Journal of Physical Chemistry C 120 (4), 2198-2214, 2016	164	2016
Synthesis, characterization and DFT studies of zinc-doped copper oxide nanocrystals for gas sensing applications RAOL V. Cretu, V. Postica, A. K. Mishra, M. Hoppe, I. Tiginyanu, Y. K ... Journal of Materials Chemistry A 4, 6527, 2016	158	2016
Multifunctional materials: a case study of the effects of metal doping on ZnO tetrapods with bismuth and tin oxides V Postica, J Gröttrup, R Adelung, O Lupan, AK Mishra, NH de Leeuw, ... Advanced Functional Materials 27 (6), 1604676, 2017	146	2017
Multifunctional Materials: A Case Study of the Effects of Metal Doping on ZnO Tetrapods with Bismuth and Tin Oxides VSYKM Vasile Postica, Jorit Gröttrup, Rainer Adelung, Oleg Lupan, Abhishek ... Adv. Fun. Mat. 6 (6), 10.1002/adfm.201770036, 2017	146*	2017
Hybridization of zinc oxide tetrapods for selective gas sensing applications O Lupan, V Postica, J Gröttrup, AK Mishra, NH De Leeuw, JFC Carreira, ... ACS Applied Materials & Interfaces 9 (4), 4084-4099, 2017	141	2017
Borocarbonitrides, BxCyNz N Kumar, K Moses, K Pramoda, SN Shirodkar, AK Mishra, UV Waghmare, ... Journal of Materials Chemistry A 1 (19), 5806-5821, 2013	129*	2013
Conducting polymers: concepts and applications AK Mishra J. at. mol. condens. nano phys 5 (2), 159-193, 2018	65	2018
A density functional theory study of the adsorption behaviour of CO₂ on Cu₂O surfaces AK Mishra, A Roldan, NH de Leeuw The Journal of Chemical Physics 145 (4), 044709, 2016	65	2016
Atomic defects in monolayer ordered double transition metal carbide (Mo2TiC2T: X) MXene and CO2 adsorption A Khaledialidusti, R., Mishra, A.K., Barnoush Journal of Materials Chemistry C 8, 4771-4779, 2020	58	2020
Remarkable Uptake of CO₂ and CH₄ by Graphene‐Like Borocarbonitrides, B_xC_yN_z N Kumar, KS Subrahmanyam, P Chaturbedy, K Raidongia, A Govindaraj, ... ChemSusChem 4 (11), 1662-1670, 2011	57	2011
Enhanced UV and ethanol vapour sensing of a single 3-D ZnO tetrapod alloyed with Fe2O3 nanoparticles O Lupan, V Postica, J Gröttrup, AK Mishra, NH de Leeuw, R Adelung Sensors and Actuators B: Chemical 245, 448-461, 2017	48	2017
Combined EXAFS, XRD, DRIFTS, and DFT Study of Nano Copper-Based Catalysts for CO₂ Hydrogenation M Bersani, K Gupta, AK Mishra, R Lanza, SFR Taylor, HU Islam, ... ACS Catalysis 6 (9), 5823-5833, 2016	45	2016
Combined experimental (FT-IR, UV–visible spectra, NMR) and theoretical studies on the molecular structure, vibrational spectra, HOMO, LUMO, MESP surfaces, reactivity descriptor … A Kumar, AK Srivastava, S Gangwar, N Misra, A Mondal, G Brahmachari Journal of Molecular Structure 1096, 94-101, 2015	44	2015
A Comparative Ab Initio and DFT Study of Polyaniline Leucoemeraldine Base and Its Oligomers AK Mishra, P Tandon The Journal of Physical Chemistry B 113 (44), 14629-14639, 2009	39	2009
DFT study and heat capacity of polyaniline pernigraniline base AK Mishra, P Tandon The Journal of Physical Chemistry B 113 (29), 9702-9707, 2009	34	2009
Mechanistic insights into the Cu(I) oxide-catalyzed conversion of CO2 to fuels and chemicals: A DFT approach AK Mishra, N de Leeuw Journal of CO2 Utilization, doi:10.1016/j.jcou.2016.02.008, 2016	33	2016
Single CuO/Cu₂O/Cu Microwire Covered by a Nanowire Network as a Gas Sensor for the Detection of Battery Hazards O Lupan, N Ababii, AK Mishra, O Gronenberg, A Vahl, U Schürmann, ... ACS Applied Materials & Interfaces 12 (37), 42248-42263, 2020	32	2020
Selective SO2 detection at low concentration by Ca substituted LaFeO3 chemiresistive gas sensor: a comparative study of LaFeO3 pellet vs thin film C Aranthady, T Jangid, K Gupta, AK Mishra, SD Kaushik, V Siruguri, ... Sensors and Actuators B: Chemical 329, 129211, 2021	30	2021
Pd-functionalized ZnO: Eu columnar films for room-temperature hydrogen gas sensing: a combined experimental and computational approach C Lupan, R Khaledialidusti, AK Mishra, V Postica, MI Terasa, N Magariu, ... ACS applied materials & interfaces 12 (22), 24951-24964, 2020	28	2020

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