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Dr Habib Ullah

Dr Habib Ullah

Research Fellow (based outside ESI)

 Environment and Sustainability Institute 

 

Environment and Sustainability Institute, University of Exeter, Penryn Campus, Penryn, Cornwall, TR10 9FE, UK

Overview

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I'm a Research Fellow in Renewable Energy at College of Engineering Mathematics and Physical Sciences, University of Exeter, UK. My Research involves First-Principles Density Functional Theory (DFT), Molecular Dynamic (MD), and Experimental study of Energy Materials. First-Principles DFT/MD simulations play an important role in the design, understanding, development, and optimization of novel advanced materials for various applications including energy generation. I have been using DFT since 2012, as a computational tool for the study of Conjugated Polymers, Metal Oxides, Perovskite, Phase Change Materials, Composite materials, and 2D materials. During my academic career, I have built both experimental and theoretical expertise while working on several research projects. Currently, I am working on the design and fabrication of "Transparent Smart Composite Materials for Glazing" with U-values of less than 0.4 W/m2K. This is an EPSRC four years research project with UCL partners, where I will employ DFT/MD modelings along with experiments, to design a Smart Composite Material. This Smart Composite Material will consist of a Phase Change Material (PCM), Transparent Insulating Material (TIM), Transparent Infrared Absorber (TIA), and Thermochromic Material (TCM).

Research Interests

  • Photocatalysis
    • Photocathode
    • Photoanode
  • Electrocatalysis
    • OER
    • HER
    • ORR
  • Polymer Solar Cells​
  • Smart Window Technology

 

Qualifications

Career

Scholarships/Fellowships

Memberships

Editorial Activities

Publications

Research

Publications

Key publications | Publications by category | Publications by year

Key publications


Ola O, Ullah H, Chen Y, Thummavichai K, Wang N, Zhu Y (In Press). DFT and Experimental Studies of Iron Oxide-based Nanocomposites for Efficient Electrocatalysis. Journal of Materials Chemistry C
Tahir AA, mallick T, ullah H (In Press). Polypyrrole/TiO2 composites for the application of photocatalysis. Sensors and Actuators B: Chemical
Roy A, ULLAH H, Alzahrani M, Ghosh A, Mallick T, Tahir A (In Press). Synergistic Effect of Paraffin Incorporated In2O3:ZnO Multi-Fold Composite Smart Glazing for the Self-Cleaning and Energy-Saving Built Environment. ACS Sustainable Chemistry and Engineering Abstract.
Roy A, Ullah H, Ghosh A, Baig H, Sundaram S, Tahir A, Mallick T (In Press). Understanding the Semi-switchable Thermochromic Behavior of Mixed Halide Hybrid Perovskite Nanorods. The Journal of Physical Chemistry C: Energy Conversion and Storage, Optical and Electronic Devices, Interfaces, Nanomaterials, and Hard Matter
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, 310 Abstract.
Nundy S, Tatar D, Kojcinovic J, Ullah H, Ghosh A, Mallick TK, Meinusch R, Smarsly BM, Tahir AA, Djerdj I, et al (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, 6(7). Author URL.

Publications by category


Journal articles

Ola O, Ullah H, Chen Y, Thummavichai K, Wang N, Zhu Y (In Press). DFT and Experimental Studies of Iron Oxide-based Nanocomposites for Efficient Electrocatalysis. Journal of Materials Chemistry C
Tahir AA, mallick T, ullah H (In Press). Polypyrrole/TiO2 composites for the application of photocatalysis. Sensors and Actuators B: Chemical
Roy A, ULLAH H, Alzahrani M, Ghosh A, Mallick T, Tahir A (In Press). Synergistic Effect of Paraffin Incorporated In2O3:ZnO Multi-Fold Composite Smart Glazing for the Self-Cleaning and Energy-Saving Built Environment. ACS Sustainable Chemistry and Engineering Abstract.
Roy A, Ullah H, Ghosh A, Baig H, Sundaram S, Tahir A, Mallick T (In Press). Understanding the Semi-switchable Thermochromic Behavior of Mixed Halide Hybrid Perovskite Nanorods. The Journal of Physical Chemistry C: Energy Conversion and Storage, Optical and Electronic Devices, Interfaces, Nanomaterials, and Hard Matter
Usman M, Zeb Z, Ullah H, Suliman MH, Humayun M, Ullah L, Shah SNA, Ahmed U, Saeed M (2022). A review of metal-organic frameworks/graphitic carbon nitride composites for solar-driven green H<inf>2</inf> production, CO<inf>2</inf> reduction, and water purification. Journal of Environmental Chemical Engineering, 10(3). Abstract.
Ullah H, Ahmad R, Khan AA, Khaliq N, Khan M, Ali G, Karim S, Yi X, Cho SO (2022). A sensitive non-enzymatic glucose sensor based on MgO entangled nanosheets decorated with CdS nanoparticles: Experimental and DFT study. Journal of Molecular Liquids, 360 Abstract.
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, 310 Abstract.
Nundy S, Tatar D, Kojcinovic J, Ullah H, Ghosh A, Mallick TK, Meinusch R, Smarsly BM, Tahir AA, Djerdj I, et al (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, 6(7). Author URL.
Nawaz Z, Ullah H, Gürbüz N, Zafar MN, Verpoort F, Tahir MN, Özdemir I, Trovitch RJ (2022). Benzimidazole-based N-heterocyclic carbene silver complexes as catalysts for the formation of carbonates from carbon dioxide and epoxides. Molecular Catalysis, 526
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, 341
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 Abstract.
Ali Shah S, Xu L, Sayyar R, Bian T, Liu Z, Yuan A, Shen X, Khan I, Ali Tahir A, Ullah H, et al (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, 428, 132126-132126.
Ali Shah S, Sayyar R, Xu L, Sun H, Khan I, Guo J, Shen X, Hussain S, Yuan A, Ullah H, et al (2022). In-situ synthesis of NiS<inf>2</inf> nanoparticles/MoS<inf>2</inf> nanosheets hierarchical sphere anchored on reduced graphene oxide for enhanced electrocatalytic hydrogen evolution reaction. Journal of Colloid and Interface Science, 624, 150-159. Abstract.
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, 299
Xu L, Ali Shah S, Khan H, Sayyar R, Shen X, Khan I, Yuan A, Yaseen W, Ali Ghazi Z, Naeem A, et al (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, 617, 1-10.
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, 66, 314-338.
Marwat MA, Ullah H, Usman M, Ehsan MA, Zhang H, Khan MF, Ali S, Yousaf M (2022). Significantly improved photocatalytic activity of the SnO<inf>2</inf>/BiFeO<inf>3</inf> heterojunction for pollutant degradation and mechanism. Ceramics International, 48(10), 14789-14798. Abstract.
Roy A, Ghosh A, Mallick TK, Tahir AA (2022). Smart glazing thermal comfort improvement through near-infrared shielding paraffin incorporated SnO<inf>2</inf>-Al<inf>2</inf>O<inf>3</inf> composite. Construction and Building Materials, 331 Abstract.
Yaseen M, Khattak MAK, Humayun M, Usman M, Shah SS, Bibi S, Hasnain BSU, Ahmad SM, Khan A, Shah N, et al (2021). A Review of Supercapacitors: Materials Design, Modification, and Applications. Energies, 14(22), 7779-7779. Abstract.
Marwat MA, Humayun M, Afridi MW, Zhang H, Abdul Karim MR, Ashtar M, Usman M, Waqar S, Ullah H, Wang C, et al (2021). Advanced Catalysts for Photoelectrochemical Water Splitting. ACS Applied Energy Materials, 4(11), 12007-12031. Abstract.
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, 21(7), 1811-1844. Abstract.  Author URL.
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, 14(8), 2281-2281. Abstract.
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, 602 Author URL.
Usman M, Humayun M, Garba MD, Ullah L, Zeb Z, Helal A, Suliman MH, Alfaifi BY, Iqbal N, Abdinejad M, et al (2021). Electrochemical Reduction of CO2: a Review of Cobalt Based Catalysts for Carbon Dioxide Conversion to Fuels. Nanomaterials, 11(8), 2029-2029. Abstract.
Mohd Yusoff ARB, Mahata A, Vasilopoulou M, Ullah H, Hu B, Jose da Silva W, Kurt Schneider F, Gao P, Ievlev AV, Liu Y, et al (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, 46, 18-27.
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, 13(1). Abstract.  Author URL.
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, 14(5), 1278-1278. Abstract.
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, 14(8), 2267-2267. Abstract.
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
Nasir SNFM, Ullah H, Mutalib MA, Saifuddin FH, Arzaee NA, Tahir AA, Noh MFM, Moria MAIH, Alghamdi MN, Teridi MAM, et al (2021). WTa37O95.487 Nanocatalyst for Pollutant Degradation. JOURNAL OF PHYSICAL CHEMISTRY C, 125(49), 27148-27158. Author URL.
Kim HP, Vasilopoulou M, Ullah H, Bibi S, Ximim Gavim AE, Macedo AG, da Silva WJ, Schneider FK, Tahir AA, Mat Teridi MA, et al (2020). A hysteresis-free perovskite transistor with exceptional stability through molecular cross-linking and amine-based surface passivation. Nanoscale, 12(14), 7641-7650. Abstract.
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, 56(4), 3375-3386.
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, 4(2), 737-749. Abstract.
Suleman S, Younus HA, Khattak ZAK, Ullah H, Elkadi M, Verpoort F (2020). Co-catalyst and solvent free nitrogen rich triazole based organocatalysts for cycloaddition of CO<inf>2</inf> into epoxide. Molecular Catalysis, 493 Abstract.
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, 5, 20517-20524.
Samsudin MFR, Ullah H, Bashiri R, Mohamed NM, Sufian S, Ng YH (2020). Experimental and DFT Insights on Microflower g-C<sub>3</sub>N<sub>4</sub>/BiVO<sub>4</sub> Photocatalyst for Enhanced Photoelectrochemical Hydrogen Generation from Lake Water. ACS Sustainable Chemistry & Engineering, 8(25), 9393-9403.
Humayun M, Ullah H, Cao J, Pi W, Yuan Y, Ali S, Tahir AA, Yue P, Khan A, Zheng Z, et al (2020). Experimental and DFT Studies of Au Deposition over WO<inf>3</inf>/g-C<inf>3</inf>N<inf>4</inf> Z-Scheme Heterojunction. Nano-Micro Letters, 12(1). Abstract.
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, et al (2020). Rapid Fabrication of Oxygen Defective α-Fe2O3(110) for Enhanced Photoelectrochemical Activities. Dalton Transactions
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
Suleman S, Younus HA, Ahmad N, Khattak ZAK, Ullah H, Park J, Han T, Yu B, Verpoort F (2020). Triazole based cobalt catalyst for CO<inf>2</inf> insertion into epoxide at ambient pressure. Applied Catalysis A: General, 591 Abstract.
Jawad A, Zhan K, Wang H, Shahzad A, Zeng Z, Wang J, Zhou X, Ullah H, Chen Z, Chen Z, et al (2020). Tuning of Persulfate Activation from a Free Radical to a Nonradical Pathway through the Incorporation of Non-Redox Magnesium Oxide. Environmental Science & Technology, 54(4), 2476-2488.
Ullah H, Mousavi B, Younus HA, Khattak ZAK, Chaemchuen S, Suleman S, Verpoort F (2019). Author Correction: Chemical fixation of carbon dioxide catalyzed via cobalt (III) ONO pincer ligated complexes (Communications Chemistry, (2019), 2, 1, (42), 10.1038/s42004-019-0139-y). Communications Chemistry, 2(1). Abstract.
Suleman S, Younus HA, Ahmad N, Khattak ZAK, Ullah H, Chaemchuen S, Verpoort F (2019). CO<inf>2</inf> insertion into epoxides using cesium salts as catalysts at ambient pressure. Catalysis Science and Technology, 9(15), 3868-3873. Abstract.
Ullah H, Mousavi B, Younus HA, Khattak ZAK, Chaemchuen S, Suleman S, Verpoort F (2019). Chemical fixation of carbon dioxide catalyzed via cobalt (III) ONO pincer ligated complexes. Communications Chemistry, 2(1). Abstract.
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, 1-14.
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, 44(59), 31141-31152.
Khattak ZAK, Younus HA, Ahmad N, Ullah H, Suleman S, Hossain MS, Elkadi M, Verpoort F (2019). Highly active dinuclear cobalt complexes for solvent-free cycloaddition of CO<inf>2</inf> to epoxides at ambient pressure. Chemical Communications, 55(57), 8274-8277. Abstract.
Ullah H, Mousavi B, Younus HA, Khattak ZAK, Suleman S, Jan MT, Yu B, Chaemchuen S, Verpoort F (2019). ONO pincer type ligand complexes of Al(III) as efficient catalyst for chemical fixation of CO<inf>2</inf> to epoxides at atmospheric pressure. Journal of Catalysis, 377, 190-198. Abstract.
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, 43(1), 523-534. Abstract.
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, 229, 24-31. Abstract.
Safaei J, Ullah H, Mohamed NA, Noh MFM, Soh MF, Tahir AA, Ludin NA, Ibrahim MA, Isahak WNRW, Teridi MAM, et al (2018). Enhanced photoelectrochemical performance of Z-scheme g-C3N4/BiVO4 photocatalyst. APPLIED CATALYSIS B-ENVIRONMENTAL, 234, 296-310. Author URL.
Khattak ZAK, Younus HA, Ahmad N, Yu B, Ullah H, Suleman S, Chughtai AH, Moosavi B, Somboon C, Verpoort F, et al (2018). Mono- and dinuclear organotin(IV) complexes for solvent free cycloaddition of CO<inf>2</inf> to epoxides at ambient pressure. Journal of CO2 Utilization, 28, 313-318. Abstract.
Alfaifi BY, Ullah H, Alfaifi S, Tahir AA, Mallick TK (2018). Photoelectrochemical solar water splitting: from basic principles to advanced devices. Veruscript Functional Nanomaterials, 2, BDJOC3-BDJOC3. Abstract.
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, 696, 914-922. Abstract.
Ullah H (2017). Inter-molecular interaction in Polypyrrole/TiO<inf>2</inf>: a DFT study. Journal of Alloys and Compounds, 692, 140-148. Abstract.
Tahir AA, ullah H (2017). New Insights into Se/BiVO4 Heterostructure for Photoelectrochemical Water Splitting: a Combined Experimental and DFT Study. The Journal of Physical Chemistry C
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, 1127, 734-741. Abstract.
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, 224, 895-903.
Bibi S, Bilal S, Ali Shah AUH, Ullah H (2017). Systematic analysis of poly(o-aminophenol) humidity sensors. ACS Omega, 2(10), 6380-6390. Abstract.
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, 47(32).
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, 120(48), 27200-27211.
Tahir AA, Sundaram S (2016). The Application of Graphene and its Derivatives in Energy Conversion, Storage, Environmental and Bio-sensing devices. The Chemical Record Abstract.
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, 72, 30-39. Abstract.
Vamsi K. Narraa, Habib Ullahb, Varun K. Singh, Lingamallu Giribabu, Senthilarasu S, S. Zh. Karazhanov, Asif A. Tahir, Tapas Mallick K, Hari M. Upadhyaya, Sundaram S, et al (2015). D-π-A System Based on Zinc Porphyrin Dyes for Dye-Sensitized Solar Cells: Combined Experimental and DFT-TDDFT Study. Polyhedron Abstract.
Ullah Z, Ata-Ur-Rahman, Fazl-I-Sattar, Rauf A, Yaseen M, Hassan W, Tariq M, Ayub K, Tahir AA, Ullah H, et al (2015). Density functional theory and phytochemical study of 8-hydroxyisodiospyrin. Journal of Molecular Structure, 1095, 69-78. Abstract.
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, 119(28), 15994-16003. Abstract.
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, 141, 71-79. Abstract.  Author URL.
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, 118, 210-214. Abstract.
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, 118(31), 17819-17830. Abstract.
Ullah H, Shah AUHA, Bilal S, Ayub K (2013). DFT study of polyaniline NH<inf>3</inf>, CO<inf>2</inf>, and CO gas sensors: Comparison with recent experimental data. Journal of Physical Chemistry C, 117(45), 23701-23711. Abstract.
Ullah H, Shah AUHA, Ayub K, Bilal S (2013). Density functional theory study of poly(o -phenylenediamine) oligomers. Journal of Physical Chemistry C, 117(8), 4069-4078. Abstract.
Ullah H, Ayub K, Ullah Z, Hanif M, Nawaz R, Shah AUHA, Bilal S (2013). Theoretical insight of polypyrrole ammonia gas sensor. Synthetic Metals, 172, 14-20. Abstract.

Conferences

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). 15th - 18th Sep 2020.

Publications by year


In Press

Ola O, Ullah H, Chen Y, Thummavichai K, Wang N, Zhu Y (In Press). DFT and Experimental Studies of Iron Oxide-based Nanocomposites for Efficient Electrocatalysis. Journal of Materials Chemistry C
Tahir AA, mallick T, ullah H (In Press). Polypyrrole/TiO2 composites for the application of photocatalysis. Sensors and Actuators B: Chemical
Roy A, ULLAH H, Alzahrani M, Ghosh A, Mallick T, Tahir A (In Press). Synergistic Effect of Paraffin Incorporated In2O3:ZnO Multi-Fold Composite Smart Glazing for the Self-Cleaning and Energy-Saving Built Environment. ACS Sustainable Chemistry and Engineering Abstract.
Roy A, Ullah H, Ghosh A, Baig H, Sundaram S, Tahir A, Mallick T (In Press). Understanding the Semi-switchable Thermochromic Behavior of Mixed Halide Hybrid Perovskite Nanorods. The Journal of Physical Chemistry C: Energy Conversion and Storage, Optical and Electronic Devices, Interfaces, Nanomaterials, and Hard Matter

2022

Usman M, Zeb Z, Ullah H, Suliman MH, Humayun M, Ullah L, Shah SNA, Ahmed U, Saeed M (2022). A review of metal-organic frameworks/graphitic carbon nitride composites for solar-driven green H<inf>2</inf> production, CO<inf>2</inf> reduction, and water purification. Journal of Environmental Chemical Engineering, 10(3). Abstract.
Ullah H, Ahmad R, Khan AA, Khaliq N, Khan M, Ali G, Karim S, Yi X, Cho SO (2022). A sensitive non-enzymatic glucose sensor based on MgO entangled nanosheets decorated with CdS nanoparticles: Experimental and DFT study. Journal of Molecular Liquids, 360 Abstract.
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, 310 Abstract.
Nundy S, Tatar D, Kojcinovic J, Ullah H, Ghosh A, Mallick TK, Meinusch R, Smarsly BM, Tahir AA, Djerdj I, et al (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, 6(7). Author URL.
Nawaz Z, Ullah H, Gürbüz N, Zafar MN, Verpoort F, Tahir MN, Özdemir I, Trovitch RJ (2022). Benzimidazole-based N-heterocyclic carbene silver complexes as catalysts for the formation of carbonates from carbon dioxide and epoxides. Molecular Catalysis, 526
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, 341
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 Abstract.
Ali Shah S, Xu L, Sayyar R, Bian T, Liu Z, Yuan A, Shen X, Khan I, Ali Tahir A, Ullah H, et al (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, 428, 132126-132126.
Ali Shah S, Sayyar R, Xu L, Sun H, Khan I, Guo J, Shen X, Hussain S, Yuan A, Ullah H, et al (2022). In-situ synthesis of NiS<inf>2</inf> nanoparticles/MoS<inf>2</inf> nanosheets hierarchical sphere anchored on reduced graphene oxide for enhanced electrocatalytic hydrogen evolution reaction. Journal of Colloid and Interface Science, 624, 150-159. Abstract.
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, 299
Xu L, Ali Shah S, Khan H, Sayyar R, Shen X, Khan I, Yuan A, Yaseen W, Ali Ghazi Z, Naeem A, et al (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, 617, 1-10.
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, 66, 314-338.
Marwat MA, Ullah H, Usman M, Ehsan MA, Zhang H, Khan MF, Ali S, Yousaf M (2022). Significantly improved photocatalytic activity of the SnO<inf>2</inf>/BiFeO<inf>3</inf> heterojunction for pollutant degradation and mechanism. Ceramics International, 48(10), 14789-14798. Abstract.
Roy A, Ghosh A, Mallick TK, Tahir AA (2022). Smart glazing thermal comfort improvement through near-infrared shielding paraffin incorporated SnO<inf>2</inf>-Al<inf>2</inf>O<inf>3</inf> composite. Construction and Building Materials, 331 Abstract.

2021

Yaseen M, Khattak MAK, Humayun M, Usman M, Shah SS, Bibi S, Hasnain BSU, Ahmad SM, Khan A, Shah N, et al (2021). A Review of Supercapacitors: Materials Design, Modification, and Applications. Energies, 14(22), 7779-7779. Abstract.
Marwat MA, Humayun M, Afridi MW, Zhang H, Abdul Karim MR, Ashtar M, Usman M, Waqar S, Ullah H, Wang C, et al (2021). Advanced Catalysts for Photoelectrochemical Water Splitting. ACS Applied Energy Materials, 4(11), 12007-12031. Abstract.
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, 21(7), 1811-1844. Abstract.  Author URL.
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, 14(8), 2281-2281. Abstract.
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, 602 Author URL.
Usman M, Humayun M, Garba MD, Ullah L, Zeb Z, Helal A, Suliman MH, Alfaifi BY, Iqbal N, Abdinejad M, et al (2021). Electrochemical Reduction of CO2: a Review of Cobalt Based Catalysts for Carbon Dioxide Conversion to Fuels. Nanomaterials, 11(8), 2029-2029. Abstract.
Mohd Yusoff ARB, Mahata A, Vasilopoulou M, Ullah H, Hu B, Jose da Silva W, Kurt Schneider F, Gao P, Ievlev AV, Liu Y, et al (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, 46, 18-27.
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, 13(1). Abstract.  Author URL.
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, 14(5), 1278-1278. Abstract.
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.
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, 14(8), 2267-2267. Abstract.
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
Nasir SNFM, Ullah H, Mutalib MA, Saifuddin FH, Arzaee NA, Tahir AA, Noh MFM, Moria MAIH, Alghamdi MN, Teridi MAM, et al (2021). WTa37O95.487 Nanocatalyst for Pollutant Degradation. JOURNAL OF PHYSICAL CHEMISTRY C, 125(49), 27148-27158. Author URL.

2020

Kim HP, Vasilopoulou M, Ullah H, Bibi S, Ximim Gavim AE, Macedo AG, da Silva WJ, Schneider FK, Tahir AA, Mat Teridi MA, et al (2020). A hysteresis-free perovskite transistor with exceptional stability through molecular cross-linking and amine-based surface passivation. Nanoscale, 12(14), 7641-7650. Abstract.
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, 56(4), 3375-3386.
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). 15th - 18th Sep 2020.
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, 4(2), 737-749. Abstract.
Suleman S, Younus HA, Khattak ZAK, Ullah H, Elkadi M, Verpoort F (2020). Co-catalyst and solvent free nitrogen rich triazole based organocatalysts for cycloaddition of CO<inf>2</inf> into epoxide. Molecular Catalysis, 493 Abstract.
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, 5, 20517-20524.
Samsudin MFR, Ullah H, Bashiri R, Mohamed NM, Sufian S, Ng YH (2020). Experimental and DFT Insights on Microflower g-C<sub>3</sub>N<sub>4</sub>/BiVO<sub>4</sub> Photocatalyst for Enhanced Photoelectrochemical Hydrogen Generation from Lake Water. ACS Sustainable Chemistry & Engineering, 8(25), 9393-9403.
Humayun M, Ullah H, Cao J, Pi W, Yuan Y, Ali S, Tahir AA, Yue P, Khan A, Zheng Z, et al (2020). Experimental and DFT Studies of Au Deposition over WO<inf>3</inf>/g-C<inf>3</inf>N<inf>4</inf> Z-Scheme Heterojunction. Nano-Micro Letters, 12(1). Abstract.
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, et al (2020). Rapid Fabrication of Oxygen Defective α-Fe2O3(110) for Enhanced Photoelectrochemical Activities. Dalton Transactions
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
Suleman S, Younus HA, Ahmad N, Khattak ZAK, Ullah H, Park J, Han T, Yu B, Verpoort F (2020). Triazole based cobalt catalyst for CO<inf>2</inf> insertion into epoxide at ambient pressure. Applied Catalysis A: General, 591 Abstract.
Jawad A, Zhan K, Wang H, Shahzad A, Zeng Z, Wang J, Zhou X, Ullah H, Chen Z, Chen Z, et al (2020). Tuning of Persulfate Activation from a Free Radical to a Nonradical Pathway through the Incorporation of Non-Redox Magnesium Oxide. Environmental Science & Technology, 54(4), 2476-2488.

2019

Ullah H, Mousavi B, Younus HA, Khattak ZAK, Chaemchuen S, Suleman S, Verpoort F (2019). Author Correction: Chemical fixation of carbon dioxide catalyzed via cobalt (III) ONO pincer ligated complexes (Communications Chemistry, (2019), 2, 1, (42), 10.1038/s42004-019-0139-y). Communications Chemistry, 2(1). Abstract.
Suleman S, Younus HA, Ahmad N, Khattak ZAK, Ullah H, Chaemchuen S, Verpoort F (2019). CO<inf>2</inf> insertion into epoxides using cesium salts as catalysts at ambient pressure. Catalysis Science and Technology, 9(15), 3868-3873. Abstract.
Ullah H, Mousavi B, Younus HA, Khattak ZAK, Chaemchuen S, Suleman S, Verpoort F (2019). Chemical fixation of carbon dioxide catalyzed via cobalt (III) ONO pincer ligated complexes. Communications Chemistry, 2(1). Abstract.
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, 1-14.
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, 44(59), 31141-31152.
Khattak ZAK, Younus HA, Ahmad N, Ullah H, Suleman S, Hossain MS, Elkadi M, Verpoort F (2019). Highly active dinuclear cobalt complexes for solvent-free cycloaddition of CO<inf>2</inf> to epoxides at ambient pressure. Chemical Communications, 55(57), 8274-8277. Abstract.
Ullah H, Mousavi B, Younus HA, Khattak ZAK, Suleman S, Jan MT, Yu B, Chaemchuen S, Verpoort F (2019). ONO pincer type ligand complexes of Al(III) as efficient catalyst for chemical fixation of CO<inf>2</inf> to epoxides at atmospheric pressure. Journal of Catalysis, 377, 190-198. Abstract.
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, 43(1), 523-534. Abstract.

2018

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, 229, 24-31. Abstract.
Safaei J, Ullah H, Mohamed NA, Noh MFM, Soh MF, Tahir AA, Ludin NA, Ibrahim MA, Isahak WNRW, Teridi MAM, et al (2018). Enhanced photoelectrochemical performance of Z-scheme g-C3N4/BiVO4 photocatalyst. APPLIED CATALYSIS B-ENVIRONMENTAL, 234, 296-310. Author URL.
Khattak ZAK, Younus HA, Ahmad N, Yu B, Ullah H, Suleman S, Chughtai AH, Moosavi B, Somboon C, Verpoort F, et al (2018). Mono- and dinuclear organotin(IV) complexes for solvent free cycloaddition of CO<inf>2</inf> to epoxides at ambient pressure. Journal of CO2 Utilization, 28, 313-318. Abstract.
Alfaifi BY, Ullah H, Alfaifi S, Tahir AA, Mallick TK (2018). Photoelectrochemical solar water splitting: from basic principles to advanced devices. Veruscript Functional Nanomaterials, 2, BDJOC3-BDJOC3. Abstract.

2017

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, 696, 914-922. Abstract.
Ullah H (2017). Inter-molecular interaction in Polypyrrole/TiO<inf>2</inf>: a DFT study. Journal of Alloys and Compounds, 692, 140-148. Abstract.
Tahir AA, ullah H (2017). New Insights into Se/BiVO4 Heterostructure for Photoelectrochemical Water Splitting: a Combined Experimental and DFT Study. The Journal of Physical Chemistry C
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, 1127, 734-741. Abstract.
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, 224, 895-903.
Bibi S, Bilal S, Ali Shah AUH, Ullah H (2017). Systematic analysis of poly(o-aminophenol) humidity sensors. ACS Omega, 2(10), 6380-6390. Abstract.

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, 47(32).
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, 120(48), 27200-27211.
Tahir AA, Sundaram S (2016). The Application of Graphene and its Derivatives in Energy Conversion, Storage, Environmental and Bio-sensing devices. The Chemical Record Abstract.

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, 72, 30-39. Abstract.
Vamsi K. Narraa, Habib Ullahb, Varun K. Singh, Lingamallu Giribabu, Senthilarasu S, S. Zh. Karazhanov, Asif A. Tahir, Tapas Mallick K, Hari M. Upadhyaya, Sundaram S, et al (2015). D-π-A System Based on Zinc Porphyrin Dyes for Dye-Sensitized Solar Cells: Combined Experimental and DFT-TDDFT Study. Polyhedron Abstract.
Ullah Z, Ata-Ur-Rahman, Fazl-I-Sattar, Rauf A, Yaseen M, Hassan W, Tariq M, Ayub K, Tahir AA, Ullah H, et al (2015). Density functional theory and phytochemical study of 8-hydroxyisodiospyrin. Journal of Molecular Structure, 1095, 69-78. Abstract.
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, 119(28), 15994-16003. Abstract.
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, 141, 71-79. Abstract.  Author URL.

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, 118, 210-214. Abstract.
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, 118(31), 17819-17830. Abstract.

2013

Ullah H, Shah AUHA, Bilal S, Ayub K (2013). DFT study of polyaniline NH<inf>3</inf>, CO<inf>2</inf>, and CO gas sensors: Comparison with recent experimental data. Journal of Physical Chemistry C, 117(45), 23701-23711. Abstract.
Ullah H, Shah AUHA, Ayub K, Bilal S (2013). Density functional theory study of poly(o -phenylenediamine) oligomers. Journal of Physical Chemistry C, 117(8), 4069-4078. Abstract.
Ullah H, Ayub K, Ullah Z, Hanif M, Nawaz R, Shah AUHA, Bilal S (2013). Theoretical insight of polypyrrole ammonia gas sensor. Synthetic Metals, 172, 14-20. Abstract.

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