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Dr Habib ULLAH

Dr Habib ULLAH

Research Fellow

 Stella Turk Building 

 

University of Exeter, Penryn Campus, Penryn, TR10 9FE

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/MDalong 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/HER) with high efficiency, selectivity, and stability.

Research Interests

  • Electrocatalysis
  • Catalysis
  • Batteries
  • Advanced Oxidation Process

Qualifications

Career

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
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.
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.
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.
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.
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
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.
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.
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.
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.
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 Abstract.
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), no-no.
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

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.
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

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.
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.
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.
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.
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.
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.
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
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

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.
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.
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.
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 Abstract.
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), no-no.
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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