Selected Journal Publications
2024
Chen, H., Iyer, J., Liu, Y., Krebs, S., Deng, F., Jentys, A., Searles, D. J., Haider, M. A., Khare, R., and Lercher, J. A. (2024): Mechanism of Electrocatalytic H2 Evolution, Carbonyl Hydrogenation, and Carbon–Carbon Coupling on Cu, Journal of the American Chemical Society, DOI: 10.1021/jacs.4c01911
Behera, A., Seth, D., Agarwal, M., Haider, M. A. & Bhattacharyya, J., (2024): Exploring Cu-Doped Co3O4 Bifunctional Oxygen Electrocatalysts for Aqueous Zn–Air Batteries, ACS Applied Materials & Interfaces, 16, 14, 17574–17586
Balyan, S., Ahangar, I., Ussama, M., Gupta, D., Khan, T. S., Pant, K. K., Shrivastav, G., & Haider, M. A. (2024): Rational Tailoring of Metal Precursor Interactions with the Zeolite Support in the Mo/HZSM-5 Catalyst for methane dehydroaromatization, Crystal Growth and Design, 24, 1529-1543
Mishra, B., Biswal, S., Ussama, M., Haider, M. A. & Tripathi, B., P. (2024): Rationally designed oxygen vacant TiO2 decorated with covalent organic framework for enhanced electrocatalytic nitrogen reduction to ammonia. Applied Catalysis B: Environmental, 342, 123395
Shrivastav, G., Ahmad, E., Khan, T. S. & Haider, M. A. (2024): Customizing reformulated gasoline using biofuel-additives to replace aromatics, Journal of Molecular Liquids, 398, 124251
Kaushik, M., Khan, T. S., Haider, M. A. & Bhatia, D., (2024): Effect of H2O and CO on the NO operating cycle in Pd/CHA passive NOx absorbers, Journal of Physical Chemistry C, 128, 2814-2827
Shenoy, C., Gupta, S., Haider, M. A. & Khan, T. S., (2024): Rational design of bimetallic alloys for effective hydrodechlorination of 4-chlorophenol, New Journal of Chemistry, 48, 7799-7809
2023
Kala, J., Anjum, U., Mani, B. K. & Haider, M. A., (2023): Controlling surface cation segregation in a double perovskite for oxygen anion transport in high temperature energy conversion device. Physical Chemistry Chemical Physics, 25, 22022-22031
Porwal, G., Haseena, K. V., Sreedhala, S., Khan, T., Haider, M. A., & Vinod, C. (2023): Deciphering the particle morphology effects in cinnamaldehyde hydrogenation over palladium nanostructures. ACS Engineering Au, 3, 6, 477–487
Rajendran, K., Yadav, J., Khan, T.S., Haider, M. A., Gupta, S. & Jagadeesan, D., (2023): Oxygen Vacancy-Mediated Reactivity: The Curious Case of Reduction of Nitroquinoline to Aminoquinoline by CuO. The Journal of Physical Chemistry C, 127 (18), 8576-8584
Venkatesha, A., Seth, D., Varma, R. M., Das, S., Agarwal, M., Haider, M. A. & Bhattacharyya, A. (2023): Probing the Na+/Li+-ions Insertion Mechanism in an Aqueous Mixed-Ion Rechargeable Batteries with NASICON-NaTi2(PO4)3 Anode and Olivine-LiFePO4 Cathode, ChemElectroChem, e202201013
Singh, M. K., Pati, J., Seth, D., Prasad, J., Agarwal, M., Haider, M. A., Chang, J. K., Dhaka, R. S. (2023): Diffusion mechanism and electrochemical investigation of 1T phase Al–MoS2@rGO nano-composite as a high-performance anode for sodium-ion batteries. Chemical Engineering Journal, 454(2), 140140
2022
Iyer, J., Jalid, F., Khan, T.S. & Haider, M. A. (2022): Tracing the reactivity of single atom alloys for ethanol dehydrogenation using ab initio simulations, Reaction Chemistry and Engineering, 7, 61-75. Recognised in Emerging Investigator Series (Themed Collection) by the Editorial Board with Journal Cover Illustration
Kumar, A., Iyer, J., Jalid, F., Ramteke, M., Khan, T.S. & Haider, M. A. (2022): Machine Learning Enabled Screening of Single Atom Alloys: Predicting Reactivity Trend for Ethanol Dehydrogenation, ChemCatChem,14, e202101481.
Haseena, K. V., Gupta, M., Madhu, A., Narang, A., Alam, M. I., & Haider, M. A. (2022). Understanding Catalyst Inhibition from Biogenic Impurities in Transfer Hydrogenation of a Biorenewable Platform Chemical, Journal of Environmental Chemical Engineering, 10, 2,107132.
Kashyap, V., Pandikassala, A., Singla, G., Khan, T. S., Haider, M. A., Vinod, C. P., & Kurungot, S. (2022): Unravelling the Faradaic Electrochemical Efficiencies over Fe/Co Spinel Metal Oxides using Surface Spectroscopy and Microscopy Techniques, Nanoscale, 14, 15928-15941.
2021
Shenoy, C., Khan, T. S., Verma, K., Mesfin, T., Jha, K. C., Haider, M. A. & Gupta S. (2021): Understanding the origin of structure sensitivity in hydrodechlorination of trichloroethylene on palladium catalyst. Reaction Chemistry and Engineering, 6, 2270-2279. Journal Cover Illustration
Kaushik, M., Shrivastav, G., Khan, T.S., Haider, M. A. & Bhatia, D. (2021): The operating cycle of NO adsorption and desorption in Pd-Chabazite for passive NOx adsorbers. Langmuir, 37, 47, 13799–13809 Journal Cover Illustration
Vernekar, D., Dayyan, M., Ratha, S., Rode, C., Haider, M. A., Khan, T.S. & Jagadeesan, D. (2021): Direct oxidation of cyclohexane to adipic acid by WFeCoO(OH) catalyst: Role of Brønsted acidity and oxygen vacancies. ACS Catalysis, 11, 10754 –10766.
Jalid, F., Khan, T. S. & Haider, M. A. (2021): Exploring bimetallic alloy catalysts of Co, Pd and Cu for CO2 reduction combined with ethane dehydrogenation. Applied Energy, 299, 117284.
Karuppusamy, R., Nanjan, P., Vinod, C. P., Khan, T. S., Gupta, S., Haider, M. A. & Jagadeesan, D. (2021): CuO as a reactive and reusable reagent for the hydrogenation of nitroarenes. Applied Catalysis B: Environmental, 297, 120417.
Jalid, F., Haider, M. A., Alam, M. I. & Khan, T. S. (2021): Mechanistic insights into the dominant reaction route and catalyst deactivation in biogas reforming using ab initio microkinetic modeling. Catalysis Science and Technology, 11(6), 2130–2143.
Balyan, S., Saini, S., Khan, T. S., Pant, K. K., Gupta, P., Bhattacharya, S. & Haider, M. A. (2021): Unravelling the reactivity of metastable molybdenum carbide nanoclusters in the C-H bond activation of methane, ethane and ethylene. Nanoscale, 13(8), 4451–4466. Journal Cover Illustration
Jalid, F., Khan, T. S. & Haider, M. A. (2021): Insights into the activity and selectivity trends in non-oxidative dehydrogenation of primary and secondary alcohols over the copper catalyst. Catalysis Today, 370, 151–160.
Jalid, F., Khan, T. S. & Haider, M. A. (2021): CO2 reduction and ethane dehydrogenation on transition metal catalysts: Mechanistic insights, reactivity trends and rational design of bimetallic alloys. Catalysis Science and Technology, 11(1), 97–115. Journal Cover Illustration
2020
Ahmad, E., Khan, T. S., Alam, M. I., Pant, K. K. & Haider, M. A. (2020): Understanding reaction kinetics, deprotonation and solvation of bronsted acidic protons in heteropolyacid catalyzed synthesis of biorenewable alkyl levulinates. Chemical Engineering Journal, 400, 125916.
Balyan, S., Haider, M. A., Khan, T. S. & Pant, K. K. (2020): Boric acid treated HZSM-5 for improved catalyst activity in non-oxidative methane dehydroaromatization. Catalysis Science and Technology, 10(12), 3857–3867. Journal Cover Illustration
Saxena, S., Khan, T. S., Jalid, F., Ramteke, M. & Haider, M. A. (2020): In silico high throughput screening of bimetallic and single atom alloys using machine learning and ab initio microkinetic modelling. Journal of Materials Chemistry A, 8(1), 107–123. Journal Cover Illustration, Selected for Editor's Choice Collection on Machine Learning for Materials Innovation
Soni, Y., Pradhan, S., Bamnia, M. K., Yadav, A. K., Jha, S. N., Bhattacharyya, D., Khan, T. S., Haider, M. A. & Vinod, C. P. (2020): Spectroscopic evidences for the size dependent generation of Pd species responsible for the low temperature CO oxidation activity on Pd-SBA-15 nanocatalyst. Applied Catalysis B: Environmental, 272, 118934.
Khan, T. S., Gupta, S., Ahmad, M., Alam, M. I., & Haider, M. A. (2020): Effect of substituents and promoters on the Diels-Alder cycloaddition reaction in the biorenewable synthesis of trimellitic acid. RSC Advances, 10(51), 30656–30670.
Anjum, U, Agarwal, M., Khan, T. S. & Haider, M. A. (2020): Mechanistic elucidation of surface cation segregation in double perovskite PrBaCo2O5+δ material using MD and DFT simulations for solid oxide fuel cells. Ionics, 26(3), 1307–1314.
Shrivastav, G., Khan, T. S., Agarwal, M. & Haider, M. A. (2020): Elucidating the role of solvents in acid catalyzed dehydration of biorenewable hydroxy-lactones. Reaction Chemistry and Engineering, 5(4), 651–662. Journal Cover Illustration
2019
Anjum, U, Agarwal, M., Khan, T. S., Prateek, Gupta, R. K. & Haider, M. A. (2019): Controlling surface cation segregation in a nanostructured double perovskite GdBaCo2O5+δ electrode for solid oxide fuel cells. Nanoscale, 11(44), 21404–21418.
Porwal, G., Gupta, S., Sreedhala, S., Elizabeth, J., Khan, T. S., Haider, M. A. & Vinod, C. P. (2019): Mechanistic insights into the pathways of phenol hydrogenation on Pd nanostructures. ACS Sustainable Chemistry and Engineering, 7(20), 17126–17136.
Anjum, U, Khan, T. S., Agarwal, M. & Haider, M. A. (2019): Identifying the origin of the limiting process in a double perovskite PrBa0.5Sr0.5Co1.5Fe0.5O5+δ thin-film electrode for solid oxide fuel cells. ACS Applied Materials and Interfaces, 11(28), 25243–25253.
Gupta, S., Alam, M. I., Khan, T. S. & Haider, M. A. (2019): Mechanistic approaches toward rational design of a heterogeneous catalyst for ring-opening and deoxygenation of biomass-derived cyclic compounds. ACS Sustainable Chemistry and Engineering, 7(12), 10165–10181.
Gupta, S., Khan, T. S., Saha, B. & Haider, M. A. (2019): Synergistic effect of Zn in a bimetallic PdZn catalyst: Elucidating the role of undercoordinated sites in the hydrodeoxygenation reactions of biorenewable platforms. Industrial and Engineering Chemistry Research, 58(35), 16153–16163.
Jalid, F., Khan, T. S. & Haider, M. A. (2019): In-silico Screening of Pt-based alloy catalysts using ab initio microkinetic modelling for non-oxidative dehydrogenation of ethanol to produce acetaldehyde. MRS Communication, 9(1), 107-113.
Alam, M. I., Khan, T. S. & Haider, M. A. (2019): Alternate biobased route to produce δ-decalactone: elucidating the role of solvent and hydrogen evolution in catalytic transfer hydrogenation. ACS Sustainable Chemistry and Engineering, 7(3), 2894–2898. Selected for the Special Issue of the Journal on 'Catalytic Byproduct Valorization in Future Biorefineries' and Virtual Special Issue on 'Hydrogen Transfer Strategies for Biomass Valorization'
2018
Khan, T. S., Jalid, F. & Haider, M. A. (2018): First-principle microkinetic modeling of ethanol dehydrogenation on metal catalyst surfaces in non-oxidative environment: design of bimetallic alloys. Topics in Catalysis, 61(18–19), 1820–1831.
Khan, T. S., Hussain, S., Anjum, U. & Haider, M. A. (2018): In-silico screening of metal and bimetallic alloy catalysts for SOFC anode at high, intermediate and low temperature operations. Electrochimica Acta, 281, 654–664.
Gupta, M., Khan, T. S., Agarwal, M. & Haider, M. A. (2018): Understanding the nature of amino acid interactions with Pd(111) or Pd-Au bimetallic catalysts in the aqueous phase. Langmuir, 34(4), 1300–1310.
Khan, T. S, Gupta, S., Bandodkar, P., Alam, M. I. & Haider, M. A. (2018): On the role of oxocarbenium ions formed in bronsted acidic condition on γ-Al2O3 surface in the ring-opening of γ-valerolactone. Applied Catalysis A: General, 560, 66–72.
Shrivastav, G., Khan, T. S., Agarwal, M. & Haider, M. A. (2018): A car-parrinello molecular dynamics simulation study of the retro diels-alder reaction for partially saturated 2-pyrones in water. Journal of Physical Chemistry C, 122(22), 11599–11607.
Khan, T. S., Balyan, S., Mishra, S., Pant, K. K. & Haider, M. A. (2018): Mechanistic insights into the activity of Mo-carbide clusters for methane dehydrogenation and carbon-carbon coupling reactions to form ethylene in methane dehydroaromatization. Journal of Physical Chemistry C, 122(22), 11754–11764.
2017
Gupta, M., Khan, T. S., Gupta, S., Alam, M. I., Agarwal, M. & Haider, M. A. (2017): Non-bonding and bonding interactions of biogenic impurities with the metal catalyst and the design of bimetallic alloys. Journal of Catalysis, 352, 542–556.
Jalid, F., Khan, T. S., Mir, F. Q. & Haider, M. A. (2017): Understanding trends in hydrodeoxygenation reactivity of metal and bimetallic alloy catalysts from ethanol reaction on stepped surface. Journal of Catalysis, 353, 265–273.
Shrivastav, G., Khan, T. S., Agarwal, M. & Haider, M. A. (2017): Reformulation of gasoline to replace aromatics by biomass-derived alkyl levulinates. ACS Sustainable Chemistry and Engineering, 5(8), 7118–7127.
2016
Alam, M. I., Gupta, S., Bohre, A., Ahmad, E., Khan, T. S., Saha, B. & Haider, M. A. (2016): Development of 6-amyl-α-pyrone as a potential biomass-derived platform molecule. Green Chemistry, 18(24), 6431–6435. Journal Cover Illustration
Khan, T. S., Gupta, S., Alam, M. I. & Haider, M. A. (2016): Reactivity descriptor for the retro Diels-Alder reaction of partially saturated 2-pyrones: DFT study on substituents and solvent effects. RSC Advances, 6(103), 101697–101706.
Ahmad, E., Alam, M. I., Pant, K. K. & Haider, M. A. (2016). Catalytic and mechanistic insights into the production of ethyl levulinate from biorenewable feedstocks. Green Chemistry, 18(18), 4804–4823. Journal Cover Illustration
Kumari, Neetu, Haider, M. A., Agarwal, M., Sinha, N. & Basu, S. (2016): Role of Reduced CeO2(110) Surface for CO2 Reduction to CO and Methanol. Journal of Physical Chemistry C, 120(30), 16626–16635.
Anjum, U, Vashishtha, S., Agarwal, M., Tiwari, P., Sinha, N., Agrawal, A., Basu, S. & Haider, M. A. (2016): Oxygen anion diffusion in double perovskite GdBaCo2O5+δ and LnBa0.5Sr0.5Co2-xFexO5+δ (Ln = Gd, Pr, Nd) electrodes. International Journal of Hydrogen Energy, 41(18), 7631–7640.
Gupta, S., Alam, M. I., Khan, T. S., Sinha, N. & Haider, M. A. (2016): On the mechanism of retro-Diels-Alder reaction of partially saturated 2-pyrones to produce biorenewable chemicals. RSC Advances, 6(65), 60433–60445.
Gupta, S., Arora, R., Sinha, N., Alam, M. I. & Haider, M. A. (2016) Mechanistic insights into the ring-opening of biomass derived lactones. RSC Advances, 6(16), 12932–12942.
2015
Anjum, U, Vashishtha, S., Sinha, N. & Haider, M. A. (2015): Role of oxygen anion diffusion in improved electrochemical performance of layered perovskite LnBa1-ySryCo2-xFexO5+δ (Ln = Pr, Nd, Gd) electrodes. Solid State Ionics, 280, 24–29.
Bardhan, S. K., Gupta, S., Gorman, M. E. & Haider, M. A. (2015): Biorenewable chemicals: Feedstocks, technologies and the conflict with food production. Renewable and Sustainable Energy Reviews, 51, 506–520. Featured in ‘Science for Environment Policy’: European Commission DG Environment News Alert Service
Kumari, Neetu, Sinha, N., Haider, M. A. & Basu, S. (2015): CO2 Reduction to Methanol on CeO2(110) Surface: a Density Functional Theory Study. Electrochimica Acta, 177, 21–29.
2007-2013
Chia, M., Haider, M. A., Pollock, G., Kraus, G. A., Neurock, M. & Dumesic, J. A. (2013): Mechanistic insights into ring-opening and decarboxylation of 2-pyrones in liquid water and tetrahydrofuran. Journal of the American Chemical Society, 135(15), 5699–5708. Highlighted in ‘Chemical & Engineering News’, American Chemical Society
Haider, M. A. & McIntosh, S. (2011): The Influence of Grain Size on La0.6Sr0.4Co0.2Fe0.8O3-δ Thin Film Electrode Impedance. Journal of The Electrochemical Society, 158(9), B1128–B1136.
Haider, M. A., Capizzi, A. J., Murayama, M. & McIntosh, S. (2011): Reverse micelle synthesis of perovskite oxide nanoparticles. Solid State Ionics, 196(1), 65–72.
Haider, M. A. & McIntosh, S. (2009): Evidence for Two Activation Mechanisms in LSM SOFC Cathodes. Journal of The Electrochemical Society, 156(12), B1369–B1375.
Haider, M. A., Gogate, M. R. & Davis, R. J. (2009): Fe-promotion of supported Rh catalysts for direct conversion of syngas to ethanol. Journal of Catalysis, 261(1), 9–16.
Haider, M. A., Pakshirajan, K., Singh, A. & Chaudhry, S. (2008): Artificial neural network-genetic algorithm approach to optimize media constituents for enhancing lipase production by a soil microorganism. Applied Biochemistry and Biotechnology, 144(3), 225–235.
Haider, M. A & Pakshirajan, K. (2007): Screening and optimization of media constituents for enhancing lipolytic activity by a soil microorganism using statistically designed experiments. Applied Biochemistry and Biotechnology, 141(2–3), 377–390.
Book Chapters
Gupta, S., Haider, M. A. (2022): Hydrodeoxygenation of lignin-derived platform chemicals on transition metal catalysts, Hydrocarbon Biorefinery, Elsevier, Chapter 1
Balyan, S., Gupta, P., Khan, T. S., Pant, K. K., Haider, M. A. (2020): Active Sites in Mo/HZSM-5 Catalysts for Non-Oxidative Methane Dehydroaromatization. Direct Natural Gas Conversion to Value-Added Products, CRC Press, Taylor and Francis Group.
Gupta, M., Khan T. S., Agarwal, M., Haider, M. A. (2019): Noncovalent Interactions of Biogenic Impurities with Transition Metal Catalyst Surfaces, Catalysis Series No. 36, Noncovalent Interactions in Catalysis, The Royal Society of Chemistry.
Kumari, N., Haider, M. A. and Basu, S. (2016): Mechanism of Catalytic and Electrocatalytic CO2 Reduction to Fuels and Chemicals. Electrochemical Reduction of Carbon Dioxide: Fundamentals and Technologies, CRC Press.
Alam, M. I., Gupta, S., Ahmad, E., Haider, M. A. (2015): Integrated Bio- and Chemocatalytic Processing for Biorenewable Chemicals and Fuels. Sustainable Catalytic Processes, Elsevier.