Overview

I'm a Research Fellow in the Faculty of ESE, working on the Design and Development of Catalysts for Energy applications (Green H2). I employ state-of-the-art Computational Chemistry methods (DFT/MD) along with Experiments in the area of Electrocatalysis. 

As we know, First-Principles DFT/MD simulations play an important role in the design, understanding, development, and optimization of novel advanced materials (Energy Materials). In order to design an efficient Catalyst; so far, I have worked on the surface chemistry of Conjugated Polymers, Transition Metal Oxides, Encapsulated Materials, Nanomaterials, Alloys, Intercalated Materials, Composite Materials, Perovskites, and 2D materials. Through DFT/MD modellings, I am aiming to engineer the atomic and electronic properties of these materials for delivering fast reaction kinetics (OER/ORR/HER/UOR/CO2RR) with high efficiency, selectivity, and stability.

• Electrocatalysis
• Catalysis
• Batteries 
• Advanced Oxidation Process

• QuantumEspresso
• Quantum ATK
• VASP
• Crystal
• Gaussian

Qualifications

• 2018 PhD Renewable Energy (University of Exeter, United Kingdom)
• 2013 MPhil Physical Chemistry (University of Peshawar, Pakistan)
• 2010 BSc Physical Chemistry (University of Peshawar, Pakistan)

Career

• 2018 - **** Research Fellow, Faculty of ESE, University of Exeter, United Kingdom
• 2019 - **** Associate Fellow (AFHEA), University of Exeter, United Kingdom
• 2015-2018 Teaching Assistant (TA), University of Exeter, United Kingdom
• 2011-2014 Teaching Assistant (TA), Institute of Chemical Sciences, University of Peshawar, Pakistan

Scholarships

• University of Exeter, Penryn Campus, College Funded Ph.D Studentship. 2014 - 2018

• The Royal Society of Chemistry
• American Chemical Society
• UK Solar Fuel Network
• SuperSolar Hub

• Rashid bin Mohd Yusoff- Advanced Display Research Canter, Kyung Hee University, Seoul, South Korea
• S. Zh. Karazhanov - Department for Solar Energy, Institute for Energy Technology, 2027 Kjeller, Norway
• Wei Luo - Engineering Research Centre for Functional Ceramics, Wuhan 430074, PR China
• Suriati Sufian- Chemical Engineering, Universiti Teknologi PETRONAS, 32610, Bandar Seri, Perak, Malaysia.
• Zhuqi Chen - Key Laboratory of Material Chemistry for Energy Conversion and Storage, Wuhan, PR China.
• Mohd A. Mat Teridi - Solar Energy Research Institute - National University of Malaysia, Malaysia
• Sayyar Ali Shah - School of Environmental & Chemical Engineering Jiangsu UST, Zhenjiang P. R. China
• Igor Djerdj - Department of Chemistry J. J. Strossmayer University of Osijek Cara Hadrijana, Croatia
• C. Wang – Wuhan National Laboratory, Huazhong University of Science and Technology, Wuhan PR China

• Journal Editor - Energies MDPI (Special Issue "Photo(electro)catalytic Water Splitting for H2 Production")
• Peer Reviewer - Web of Science

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Publications

_{Copyright Notice: Any articles made available for download are for personal use only. Any other use requires prior permission of the author and the copyright holder.}

| 2024 | 2023 | 2022 | 2021 | 2020 | 2019 | 2018 | 2017 | 2016 | 2015 | 2014 | 2013 |

2024

• Khan A, Ajab H, Yaqub A, Ayub K, Yar M, Ullah H. (2024) An experimental and theoretical aided 2D MoS2 nanoflowers strategy for rapid visual sensing of Gallic acid in food and clinical matrixes, Applied Surface Science Advances, volume 20, DOI:10.1016/j.apsadv.2024.100581.

2023

• Khan A, Ullah H, Wu Q, Gong W, Ma L, Zhao S, Xu A, Li X. (2023) Efficient degradation of organic contaminants in aqueous media using oxygen vacancy-rich MnO catalyst via peroxymonosulfate activation, Chemical Engineering Journal, volume 472, pages 145112-145112, article no. 145112, DOI:10.1016/j.cej.2023.145112. [PDF]
• Xu X, Ullah H, Humayun M, Li L, Zhang X, Bououdina M, Debecker DP, Huo K, Wang D, Wang C. (2023) Fluorinated Ni-O-C Heterogeneous Catalyst for Efficient Urea-Assisted Hydrogen Production, Advanced Functional Materials, volume 33, no. 44, DOI:10.1002/adfm.202303986.
• Tang D, Tan GL, Li GW, Liang JG, Ahmad SM, Bahadur A, Humayun M, Ullah H, Khan A, Bououdina M. (2023) State-of-the-art hydrogen generation techniques and storage methods: A critical review, Journal of Energy Storage, volume 64, DOI:10.1016/j.est.2023.107196.
• Humayun M, Ullah H, Hu C, Tian M, Pi W, Zhang Y, Luo W, Wang C. (2023) Enhanced Photocatalytic H₂ Evolution Performance of the Type-II FeTPPCl/Porous g-C₃N₄ Heterojunction: Experimental and Density Functional Theory Studies, ACS Applied Materials & Interfaces, DOI:10.1021/acsami.3c01683. [PDF]
• Yaseen M, Khan A, Humayun M, Farooq S, Shah N, Bibi S, Khattak ZAK, Rehman AU, Ahmad S, Ahmad SM. (2023) Facile Synthesis of Fe₃O₄−SiO₂ Nanocomposites for Wastewater Treatment, Macromolecular Materials and Engineering, volume 308, no. 7, DOI:10.1002/mame.202200695. [PDF]

2022

• Djerdj I, Tatar D, Kojcinovic J, Nundy S, Ullah H, Ghosh A, Ali Tahir A, Smarsly B. (2022) Band gap engineering in novel fluorite-type rare earth high-entropy oxides (RE-HEOs) with computational and experimental validation for photocatalytic water splitting applications, Book of Abstracts, DOI:10.21175/rad.sum.abstr.book.2022.11.20.
• Khan A, Feng X, Yin C, Ullah H, Tahir AA, Li B, Wang W, Li X, Xu A. (2022) Mn2O3@Mn5O8 as an efficient catalyst for the degradation of organic contaminants in aqueous media through sulfite activation, Separation and Purification Technology, volume 299, DOI:10.1016/j.seppur.2022.121717.
• Shah SA, Xu L, Sayyar R, Khan I, Yuan A, Shen X, Li X, ULLAH H. (2022) FeNi@N-doped Graphene Core-Shell Nanoparticles on Carbon Matrix Coupled with MoS2 Nanosheets as a Competent Electrocatalysts for Efficient Hydrogen Evolution Reaction, Advanced Materials Interfaces, DOI:10.1002/admi.202201040.
• Ali Shah S, Sayyar R, Xu L, Sun H, Khan I, Guo J, Shen X, Hussain S, Yuan A, Ullah H. (2022) In-situ synthesis of NiS2 nanoparticles/MoS2 nanosheets hierarchical sphere anchored on reduced graphene oxide for enhanced electrocatalytic hydrogen evolution reaction, Journal of Colloid and Interface Science, volume 624, pages 150-159, DOI:10.1016/j.jcis.2022.05.112.
• Roy A, Ullah H, Ghosh A, Mallick TK, Tahir AA. (2022) Corrigendum to “Smart glazing thermal comfort improvement through near-infrared shielding paraffin incorporated SnO2-Al2O3 composite” [Constr. Build. Mater. 331 (2022) 127319], Construction and Building Materials, volume 341, DOI:10.1016/j.conbuildmat.2022.127693.
• Nundy S, Tatar D, Kojcinovic J, Ullah H, Ghosh A, Mallick TK, Meinusch R, Smarsly BM, Tahir AA, Djerdj I. (2022) Bandgap Engineering in Novel Fluorite-Type Rare Earth High-Entropy Oxides (RE-HEOs) with Computational and Experimental Validation for Photocatalytic Water Splitting Applications, ADVANCED SUSTAINABLE SYSTEMS, volume 6, no. 7, article no. ARTN 2200067, DOI:10.1002/adsu.202200067. [PDF]
• Humayun M, Ullah H, Cheng ZE, Tahir AA, Luo W, Wang C. (2022) Au surface plasmon resonance promoted charge transfer in Z-scheme system enables exceptional photocatalytic hydrogen evolution, Applied Catalysis B: Environmental, volume 310, DOI:10.1016/j.apcatb.2022.121322.
• Xu L, Ali Shah S, Khan H, Sayyar R, Shen X, Khan I, Yuan A, Yaseen W, Ali Ghazi Z, Naeem A. (2022) Ni3S2 nanostrips@FeNi-NiFe2O4 nanoparticles embedded in N-doped carbon microsphere: An improved electrocatalyst for oxygen evolution reaction, Journal of Colloid and Interface Science, volume 617, pages 1-10, DOI:10.1016/j.jcis.2022.02.129. [PDF]
• Humayun M, Ullah H, Usman M, Habibi-Yangjeh A, Tahir AA, Wang C, Luo W. (2022) Perovskite-type lanthanum ferrite based photocatalysts: Preparation, properties, and applications, Journal of Energy Chemistry, volume 66, pages 314-338, DOI:10.1016/j.jechem.2021.08.023. [PDF]
• Ali Shah S, Xu L, Sayyar R, Bian T, Liu Z, Yuan A, Shen X, Khan I, Ali Tahir A, Ullah H. (2022) Growth of MoS2 nanosheets on M@N-doped carbon particles (M = Co, Fe or CoFe Alloy) as an efficient electrocatalyst toward hydrogen evolution reaction, Chemical Engineering Journal, volume 428, pages 132126-132126, article no. 132126, DOI:10.1016/j.cej.2021.132126. [PDF]

2021

• Roy A, Ullah H, Ghosh A, Mallick T, Tahir AA. (2021) Smart Glazing Thermal Comfort Improvement Through Near-Infrared Shielding Paraffin Incorporated Sno2-Al2o3 Composite, DOI:10.2139/ssrn.3986054.
• Nasir SNFM, Ullah H, Mutalib MA, Saifuddin FH, Arzaee NA, Tahir AA, Noh MFM, Moria MAIH, Alghamdi MN, Teridi MAM. (2021) WTa₃₇O_95.487 Nanocatalyst for Pollutant Degradation, JOURNAL OF PHYSICAL CHEMISTRY C, volume 125, no. 49, pages 27148-27158, DOI:10.1021/acs.jpcc.1c02481. [PDF]
• Yaseen M, Khattak MAK, Humayun M, Usman M, Shah SS, Bibi S, Hasnain BSU, Ahmad SM, Khan A, Shah N. (2021) A Review of Supercapacitors: Materials Design, Modification, and Applications, Energies, volume 14, no. 22, pages 7779-7779, DOI:10.3390/en14227779. [PDF]
• Humayun M, Ullah H, Shu L, Ao X, Tahir AA, Wang C, Luo W. (2021) Plasmon Assisted Highly Efficient Visible Light Catalytic CO2 Reduction Over the Noble Metal Decorated Sr-Incorporated g-C3N4, Nanomicro Lett, volume 13, no. 1, DOI:10.1007/s40820-021-00736-x. [PDF]
• Usman M, Humayun M, Garba MD, Ullah L, Zeb Z, Helal A, Suliman MH, Alfaifi BY, Iqbal N, Abdinejad M. (2021) Electrochemical Reduction of CO2: A Review of Cobalt Based Catalysts for Carbon Dioxide Conversion to Fuels, Nanomaterials, volume 11, no. 8, pages 2029-2029, DOI:10.3390/nano11082029. [PDF]
• Fakhrul Ridhwan Samsudin M, Ullah H, Tahir AA, Li X, Hau Ng Y, Sufian S. (2021) Corrigendum to "Superior photoelectrocatalytic performance of ternary structural BiVO4/GQD/g-C3N4 heterojunction" [J. Col. Interf. Sci. 586 (2021) 785-796], J Colloid Interface Sci, volume 602, DOI:10.1016/j.jcis.2021.04.096. [PDF]
• Khan NA, Humayun M, Usman M, Ghazi ZA, Naeem A, Khan A, Khan AL, Tahir AA, Ullah H. (2021) Structural Characteristics and Environmental Applications of Covalent Organic Frameworks, Energies, volume 14, no. 8, pages 2267-2267, DOI:10.3390/en14082267. [PDF]
• Usman M, Humayun M, Shah SS, Ullah H, Tahir AA, Khan A, Ullah H. (2021) Bismuth-Graphene Nanohybrids: Synthesis, Reaction Mechanisms, and Photocatalytic Applications—A Review, Energies, volume 14, no. 8, pages 2281-2281, DOI:10.3390/en14082281. [PDF]
• Humayun M, Ullah H, Tahir AA, Bin Mohd Yusoff AR, Mat Teridi MA, Nazeeruddin MK, Luo W. (2021) An Overview of the Recent Progress in Polymeric Carbon Nitride Based Photocatalysis, Chem Rec, volume 21, no. 7, pages 1811-1844, DOI:10.1002/tcr.202100067. [PDF]
• Mohd Yusoff ARB, Mahata A, Vasilopoulou M, Ullah H, Hu B, Jose da Silva W, Kurt Schneider F, Gao P, Ievlev AV, Liu Y. (2021) Observation of large Rashba spin–orbit coupling at room temperature in compositionally engineered perovskite single crystals and application in high performance photodetectors, Materials Today, volume 46, pages 18-27, DOI:10.1016/j.mattod.2021.01.027. [PDF]
• Yaseen M, Humayun M, Khan A, Usman M, Ullah H, Tahir AA, Ullah H. (2021) Preparation, Functionalization, Modification, and Applications of Nanostructured Gold: A Critical Review, Energies, volume 14, no. 5, pages 1278-1278, DOI:10.3390/en14051278. [PDF]
• Trudgeon D, Loh A, Ullah H, Li X, Yufit V, Brandon N, Liu M, Kong L. (2021) The Influence of Zinc Electrode Substrate, Electrolyte Flow Rate and Current Density on Zinc-Nickel Flow Cell Performance, Electrochimica Acta, DOI:10.1016/j.electacta.2021.137890.

2020

• Samsudin MFR, Ullah H, Tahir A, Li X, Ng YH, Sufian S. (2020) Superior Photoelectrocatalytic Performance of Ternary Structural BiVO4/GQD/g-C3N4 Heterojunction, Journal of Colloid and Interface Science, DOI:10.1016/j.jcis.2020.11.003. [PDF]
• Lin Y, Wang P, Loh A, Wan L, Habib U, Xu Z, Li X, Wang B. (2020) Assembling flower-on-sheet CoP–NiCoP nanohybrids as efficient self-supported electrocatalysts for hydrogen evolution reaction in both acidic and alkaline media, Journal of Materials Science, volume 56, no. 4, pages 3375-3386, DOI:10.1007/s10853-020-05445-1. [PDF]
• Ullah H, Firdaus Mohamad Noh M, Arzaee N, Halim A, Amir Faizal Abdul Rahim M, Aida Mohamed N, Safaei J, Nur Farhana Mohd Nasir S, Wang G, Asri Mat Teridi M. (2020) Rapid Fabrication of Oxygen Defective α-Fe2O3(110) for Enhanced Photoelectrochemical Activities, Dalton Transactions, DOI:10.1039/D0DT00406E.
• Sood S, Bouamama BO, Dieulot J-Y, Bressel M, Li X, Ullah H, Loh A. (2020) Bond Graph based Multiphysic Modelling of Anion Exchange Membrane Water Electrolysis Cell, The 28th Mediterranean Conference on Control and Automation (MED), Saint-raphaël, France, 15th - 18th Sep 2020.
• Ullah H, Loh A, Trudgeon D, Li X. (2020) Density Functional Theory Study of NiFeCo Trinary Oxy-hydroxides for Efficient and Stable Oxygen Evolution Reaction Catalyst, ACS Omega, volume 5, pages 20517-20524, DOI:10.1021/acsomega.0c02679.
• Samsudin MFR, Ullah H, Bashiri R, Mohamed NM, Sufian S, Ng YH. (2020) Experimental and DFT Insights on Microflower g-C₃N₄/BiVO₄ Photocatalyst for Enhanced Photoelectrochemical Hydrogen Generation from Lake Water, ACS Sustainable Chemistry & Engineering, volume 8, no. 25, pages 9393-9403, DOI:10.1021/acssuschemeng.0c02063. [PDF]
• Kim HP, Vasilopoulou M, Ullah H, Bibi S, Ximim Gavim AE, Macedo AG, da Silva WJ, Schneider FK, Tahir AA, Mat Teridi MA. (2020) A hysteresis-free perovskite transistor with exceptional stability through molecular cross-linking and amine-based surface passivation, Nanoscale, volume 12, no. 14, pages 7641-7650, DOI:10.1039/c9nr10745b. [PDF]
• Jawad A, Zhan K, Wang H, Shahzad A, Zeng Z, Wang J, Zhou X, Ullah H, Chen Z, Chen Z. (2020) Tuning of Persulfate Activation from a Free Radical to a Nonradical Pathway through the Incorporation of Non-Redox Magnesium Oxide, Environmental Science & Technology, volume 54, no. 4, pages 2476-2488, DOI:10.1021/acs.est.9b04696. [PDF]
• Humayun M, Ullah H, Cao J, Pi W, Yuan Y, Ali S, Tahir AA, Yue P, Khan A, Zheng Z. (2020) Experimental and DFT Studies of Au Deposition Over WO3/g-C3N4 Z-Scheme Heterojunction, Nano-Micro Letters, volume 12, no. 1, DOI:10.1007/s40820-019-0345-2.
• Sookhakian M, Ullah H, Mat Teridi MA, Tong GB, Basirun WJ, Alias Y. (2020) Boron-doped graphene-supported manganese oxide nanotubes as an efficient non-metal catalyst for the oxygen reduction reaction, Sustainable Energy & Fuels, volume 4, no. 2, pages 737-749, DOI:10.1039/c9se00775j. [PDF]

2019

• Fazl-i-Sattar, Ahmed A, Ullah H, Ullah Z, Tariq M, Ayub K. (2019) External stimulus controlled recombination of hydrogen in photochromic dithienylethene frustrated lewis pairs, International Journal of Hydrogen Energy, volume 44, no. 59, pages 31141-31152, DOI:10.1016/j.ijhydene.2019.10.051. [PDF]
• Aida Muhamed N, Ullah H, Safaei J, Fazli Ismail A, Mohamad Noh MF, Fairuz Soh M, Adib Ibrahim MA, Ahmad Ludin N, Mat Teridi MA. (2019) Efficient Photoelectrochemical Performance of Gamma Irradiated gC3N4 and its g-C3N4@BiVO4 Heterojunction for Solar Water Splitting, Journal of Physical Chemistry C, pages 1-14, DOI:10.1021/acs.jpcc.9b00217. [PDF]
• Selvaraj P, Roy A, Ullah H, Sujatha Devi P, Tahir AA, Mallick TK, Sundaram S. (2019) Soft-template synthesis of high surface area mesoporous titanium dioxide for dye-sensitized solar cells, International Journal of Energy Research, volume 43, no. 1, pages 523-534, DOI:10.1002/er.4288.

2018

• Alfaifi BY, Ullah H, Alfaifi S, Tahir AA, Mallick TK. (2018) Photoelectrochemical solar water splitting: From basic principles to advanced devices, Veruscript Functional Nanomaterials, volume 2, pages BDJOC3-BDJOC3, DOI:10.22261/fnan.bdjoc3. [PDF]
• Safaei J, Ullah H, Mohamed NA, Noh MFM, Soh MF, Tahir AA, Ludin NA, Ibrahim MA, Isahak WNRW, Teridi MAM. (2018) Enhanced photoelectrochemical performance of Z-scheme g-C₃N₄/BiVO₄ photocatalyst, APPLIED CATALYSIS B-ENVIRONMENTAL, volume 234, pages 296-310, DOI:10.1016/j.apcatb.2018.04.056. [PDF]
• Ullah H, Tahir AA, Bibi S, Mallick TK, Karazhanov SZ. (2018) Electronic properties of Β-TaON and its surfaces for solar water splitting, Applied Catalysis B: Environmental, volume 229, pages 24-31, DOI:10.1016/j.apcatb.2018.02.001.

2017

• Ullah R, Ullah H, Shah AUHA, Bilal S, Ali K. (2017) Oligomeric synthesis and density functional theory of leucoemeraldine base form of polyaniline, Journal of Molecular Structure, volume 1127, pages 734-741, DOI:10.1016/j.molstruc.2016.08.009.
• Ullah H. (2017) Inter-molecular interaction in Polypyrrole/TiO2: A DFT study, Journal of Alloys and Compounds, volume 692, pages 140-148, DOI:10.1016/j.jallcom.2016.08.169.
• Bibi S, Bilal S, Ali Shah AUH, Ullah H. (2017) Systematic analysis of poly(o-aminophenol) humidity sensors, ACS Omega, volume 2, no. 10, pages 6380-6390, DOI:10.1021/acsomega.7b01027.
• Ullah H, Tahir AA, Mallick TK. (2017) Structural and electronic properties of oxygen defective and Se-doped p-type BiVO⁠4(001) thin film for the applications of photocatalysis, Applied Catalysis B: Environmental, volume 224, pages 895-903, DOI:10.1016/j.apcatb.2017.11.034.
• ullah H, Tahir AA. (2017) New Insights into Se/BiVO4 Heterostructure for Photoelectrochemical Water Splitting: A Combined Experimental and DFT Study, The Journal of Physical Chemistry C, DOI:10.1021/acs.jpcc.7b01149.
• Ullah H, Bibi S, Tahir AA, Mallick TK. (2017) Donor-acceptor polymer for the design of All-Solid-State dye-sensitized solar cells, Journal of Alloys and Compounds, volume 696, pages 914-922, DOI:10.1016/j.jallcom.2016.12.076.

2016

• Tahir AA, Ullah H, Sudhagar P, Teridi MAM, Devadoss A, Sundaram S. (2016) ChemInform Abstract: The Application of Graphene and Its Derivatives to Energy Conversion, Storage, and Environmental and Biosensing Devices, ChemInform, volume 47, no. 32, pages no-no, DOI:10.1002/chin.201632269.
• Ullah H, Bibi S, Tahir AA, Mallick TK. (2016) Density Functional Theory Study of Selenium-Substituted Low-Bandgap Donor–Acceptor–Donor Polymer, The Journal of Physical Chemistry C, volume 120, no. 48, pages 27200-27211, DOI:10.1021/acs.jpcc.6b10441. [PDF]
• Tahir AA, Sundaram S. (2016) The Application of Graphene and Its Derivatives in Energy Conversion, Storage, Environmental and Bio-sensing devices, The Chemical Record.

2015

• Kamran M, Ullah H, Shah AUHA, Bilal S, Tahir AA, Ayub K. (2015) Combined experimental and theoretical study of poly(aniline-co-pyrrole) oligomer, Polymer, volume 72, pages 30-39, DOI:10.1016/j.polymer.2015.07.003.
• Bibi S, Ullah H, Ahmad SM, Ali Shah AUH, Bilal S, Tahir AA, Ayub K. (2015) Molecular and electronic structure elucidation of polypyrrole gas sensors, Journal of Physical Chemistry C, volume 119, no. 28, pages 15994-16003, DOI:10.1021/acs.jpcc.5b03242.
• Ullah Z, Ata-Ur-Rahman, Fazl-I-Sattar, Rauf A, Yaseen M, Hassan W, Tariq M, Ayub K, Tahir AA, Ullah H. (2015) Density functional theory and phytochemical study of 8-hydroxyisodiospyrin, Journal of Molecular Structure, volume 1095, pages 69-78, DOI:10.1016/j.molstruc.2015.04.027.
• Fazl-i-Sattar, Ullah Z, Ata-ur-Rahman, Rauf A, Tariq M, Tahir AA, Ayub K, Ullah H. (2015) Phytochemical, spectroscopic and density functional theory study of Diospyrin, and non-bonding interactions of Diospyrin with atmospheric gases, Spectrochim Acta A Mol Biomol Spectrosc, volume 141, pages 71-79, DOI:10.1016/j.saa.2015.01.022. [PDF]

2014

• Ullah H, Rauf A, Ullah Z, Fazl-I-Sattar, Anwar M, Shah AUHA, Uddin G, Ayub K. (2014) Density functional theory and phytochemical study of Pistagremic acid, Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, volume 118, pages 210-214, DOI:10.1016/j.saa.2013.08.099.
• Ullah H, Shah AUHA, Bilal S, Ayub K. (2014) Doping and dedoping processes of polypyrrole: DFT study with hybrid functionals, Journal of Physical Chemistry C, volume 118, no. 31, pages 17819-17830, DOI:10.1021/jp505626d.

2013

• Ullah H, Shah AUHA, Ayub K, Bilal S. (2013) Density functional theory study of poly(o -phenylenediamine) oligomers, Journal of Physical Chemistry C, volume 117, no. 8, pages 4069-4078, DOI:10.1021/jp311526u.
• Ullah H, Ayub K, Ullah Z, Hanif M, Nawaz R, Shah AUHA, Bilal S. (2013) Theoretical insight of polypyrrole ammonia gas sensor, Synthetic Metals, volume 172, pages 14-20, DOI:10.1016/j.synthmet.2013.03.021.
• Ullah H, Shah AUHA, Bilal S, Ayub K. (2013) DFT study of polyaniline NH3, CO2, and CO gas sensors: Comparison with recent experimental data, Journal of Physical Chemistry C, volume 117, no. 45, pages 23701-23711, DOI:10.1021/jp407132c.

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