Dr Peyman Z Moghadam

Department of Chemical and Biological Engineering

Lecturer

p.moghadam@sheffield.ac.uk
+44 114 222 8259

Room C05, Pam Liversidge Building

Full contact details

Dr Peyman Z Moghadam
Department of Chemical and Biological Engineering
Room C05
Pam Liversidge Building
Mappin Street
Sheffield
S1 3JD

Profile

I joined the Department of Chemical and Biological Engineering at the University of Sheffield in November 2018. Prior to joining Sheffield, I was the Head of the computational group at the Adsorption and Advanced Materials Lab at the University of Cambridge for three years.

From 2013-2015, I did a postdoc with Professor Randall Snurr at Northwestern University after completing my PhD at the University of Edinburgh. Over the past 10 years, I have closely worked with companies such as Shell, BP, Honeywell UOP and Honda on developing porous materials for different gas adsorption and separation applications.

My research is focused on the combination of molecular/process-level simulations and big data science to discover and engineer next-generation nanoporous materials for adsorption separation, sensing and energy storage applications.

Research interests

Mission

Design and Discover the Next Generation of Nanoporous Materials

Research Areas

Materials Database Generation, High-throughput Simulations, Adsorption and Separation of Valuable Chemicals (e.g. BTEX, Hexane isomers), Energy Storage, Toxic Chemicals Sensing/Capture

Computational Methods

Monte Carlo, Molecular Dynamics and Quantum Mechanical Calculations. Big Data Techniques and Analysis, Machine Learning.

Publications

Journal articles
Chapters

Journal articles

Osterrieth JWM, Rampersad J, Madden D, Rampal N, Skoric L, Connolly B, Allendorf MD, Stavila V, Snider JL, Ameloot R , Marreiros J et al (2022) How Reproducible are Surface Areas Calculated from the BET Equation? (Adv. Mater. 27/2022). Advanced Materials, 34(27), 2270205-2270205.
Osterrieth JWM, Rampersad J, Madden D, Rampal N, Skoric L, Connolly B, Allendorf MD, Stavila V, Snider JL, Ameloot R , Marreiros J et al (2022) How reproducible are surface areas calculated from the BET equation?. Advanced Materials. View this article in WRRO
Ntamo D, Lopez-Montero E, Mack J, Omar C, Highett MI, Moss D, Mitchell N, Soulatintork P, Moghadam PZ & Zandi M (2022) Industry 4.0 in Action: Digitalisation of a Continuous Process Manufacturing for Formulated Products. Digital Chemical Engineering, 100025-100025.
Glasby LT & Moghadam PZ (2021) Hydrogen storage in MOFs: Machine learning for finding a needle in a haystack. Patterns, 2(7), 100305-100305.
Allen L, Atkinson J, Jayasundara D, Cordiner J & Moghadam PZ (2021) Data visualization for Industry 4.0 : a stepping-stone toward a digital future, bridging the gap between academia and industry. Patterns, 2(5).
Hu J, Zanca F, McManus GJ, Riha IA, Nguyen HGT, Shirley W, Borcik CG, Wylie BJ, Benamara M, van Zee RD , Moghadam PZ et al (2021) Catalyst-Enabled In Situ Linkage Reduction in Imine Covalent Organic Frameworks.. ACS Appl Mater Interfaces.
Almansaf Z, Hu J, Zanca F, Shahsavari HR, Kampmeyer B, Tsuji M, Maity K, Lomonte V, Ha Y, Mastrorilli P , Todisco S et al (2021) Pt(II)-Decorated Covalent Organic Framework for Photocatalytic Difluoroalkylation and Oxidative Cyclization Reactions.. ACS Appl Mater Interfaces.
Liu Z, Li W, Moghadam PZ & Li S (2021) Screening adsorbent–water adsorption heat pumps based on an experimental water adsorption isotherm database. Sustainable Energy & Fuels.
Rampal N, Ajenifuja A, Tao A, Balzer C, Cummings MS, Evans A, Bueno-Perez R, Law DJ, Bolton LW, Petit C , Siperstein F et al (2021) The development of a comprehensive toolbox based on multi-level, high-throughput screening of MOFs for CO/N 2 separations. Chemical Science.
Balzer C, Oktavian R, Zandi M, Fairen-Jimenez D & Moghadam PZ (2020) Wiz: a web-based tool for interactive visualization of big data. Patterns, 1(8).
Moghadam PZ, Li A, Liu X-W, Bueno-Perez R, Wang S-D, Wiggin SB, Wood PA & Fairen-Jimenez D (2020) Targeted classification of metal–organic frameworks in the Cambridge structural database (CSD). Chemical Science, 11(32), 8373-8387. View this article in WRRO
Connolly BM, Aragones-Anglada M, Gandara-Loe J, Danaf NA, Lamb DC, Mehta JP, Vulpe D, Wuttke S, Silvestre-Albero J, Moghadam PZ , Wheatley AEH et al (2019) Tuning porosity in macroscopic monolithic metal-organic frameworks for exceptional natural gas storage. Nature Communications, 10(1). View this article in WRRO
Teplensky MH, Fantham M, Poudel C, Hockings C, Lu M, Guna A, Aragones-Anglada M, Moghadam PZ, Li P, Farha OK , Bernaldo de Quirós Fernández S et al (2019) A Highly Porous Metal-Organic Framework System to Deliver Payloads for Gene Knockdown. Chem, 5(11), 2926-2941.
Moghadam PZ, Rogge SMJ, Li A, Chow C-M, Wieme J, Moharrami N, Aragones-Anglada M, Conduit G, Gomez-Gualdron DA, Van Speybroeck V & Fairen-Jimenez D (2019) Structure-Mechanical Stability Relations of Metal-Organic Frameworks via Machine Learning. Matter, 1(1), 219-234.
Cuadrado-Collados C, Rojas-Mayorga CK, Saavedra B, Martinez-Escandell M, Osiński JM, Moghadam PZ, Fairen-Jimenez D & Silvestre-Albero J (2019) Reverse Hierarchy of Alkane Adsorption in Metal–Organic Frameworks (MOFs) Revealed by Immersion Calorimetry. The Journal of Physical Chemistry C, 123(18), 11699-11706.
Osterrieth JWM, Wright D, Noh H, Kung C-W, Vulpe D, Li A, Park JE, Van Duyne RP, Moghadam PZ, Baumberg JJ , Farha OK et al (2019) Core–Shell Gold Nanorod@Zirconium-Based Metal–Organic Framework Composites as in Situ Size-Selective Raman Probes. Journal of the American Chemical Society, 141(9), 3893-3900.
Moghadam PZ, Islamoglu T, Goswami S, Exley J, Fantham M, Kaminski CF, Snurr RQ, Farha OK & Fairen-Jimenez D (2018) Computer-aided discovery of a metal–organic framework with superior oxygen uptake. Nature Communications, 9(1).
Mosca N, Vismara R, Fernandes JA, Tuci G, Di Nicola C, Domasevitch KV, Giacobbe C, Giambastiani G, Pettinari C, Aragones-Anglada M , Moghadam PZ et al (2018) Cover Feature: Nitro-Functionalized Bis(pyrazolate) Metal-Organic Frameworks as Carbon Dioxide Capture Materials under Ambient Conditions (Chem. Eur. J. 50/2018). Chemistry - A European Journal, 24(50), 13062-13062.
Mosca N, Vismara R, Fernandes JA, Tuci G, Di Nicola C, Domasevitch KV, Giacobbe C, Giambastiani G, Pettinari C, Aragones-Anglada M , Moghadam PZ et al (2018) Nitro-Functionalized Bis(pyrazolate) Metal-Organic Frameworks as Carbon Dioxide Capture Materials under Ambient Conditions. Chemistry - A European Journal, 24(50), 13170-13180.
Connolly BM, Mehta JP, Moghadam PZ, Wheatley AEH & Fairen-Jimenez D (2018) From synthesis to applications: Metal–organic frameworks for an environmentally sustainable future. Current Opinion in Green and Sustainable Chemistry, 12, 47-56.
Matito-Martos I, Moghadam PZ, Li A, Colombo V, Navarro JAR, Calero S & Fairen-Jimenez D (2018) Discovery of an Optimal Porous Crystalline Material for the Capture of Chemical Warfare Agents. Chemistry of Materials, 30(14), 4571-4579.
Tian T, Zeng Z, Vulpe D, Casco ME, Divitini G, Midgley PA, Silvestre-Albero J, Tan J-C, Moghadam PZ & Fairen-Jimenez D (2018) A sol–gel monolithic metal–organic framework with enhanced methane uptake. Nature Materials, 17(2), 174-179.
Zhang W, Maul J, Vulpe D, Moghadam PZ, Fairen-Jimenez D, Mittleman DM, Zeitler JA, Erba A & Ruggiero MT (2018) Probing the Mechanochemistry of Metal–Organic Frameworks with Low-Frequency Vibrational Spectroscopy. The Journal of Physical Chemistry C, 122(48), 27442-27450.
Teplensky MH, Fantham M, Li P, Wang TC, Mehta JP, Young LJ, Moghadam PZ, Hupp JT, Farha OK, Kaminski CF & Fairen-Jimenez D (2017) Temperature Treatment of Highly Porous Zirconium-Containing Metal–Organic Frameworks Extends Drug Delivery Release. Journal of the American Chemical Society, 139(22), 7522-7532.
Moghadam PZ, Li A, Wiggin SB, Tao A, Maloney AGP, Wood PA, Ward SC & Fairen-Jimenez D (2017) Development of a Cambridge Structural Database Subset: A Collection of Metal–Organic Frameworks for Past, Present, and Future. Chemistry of Materials, 29(7), 2618-2625.
Cliffe MJ, Castillo-Martínez E, Wu Y, Lee J, Forse AC, Firth FCN, Moghadam PZ, Fairen-Jimenez D, Gaultois MW, Hill JA , Magdysyuk OV et al (2017) Metal–Organic Nanosheets Formed via Defect-Mediated Transformation of a Hafnium Metal–Organic Framework. Journal of the American Chemical Society, 139(15), 5397-5404.
Li P, Modica JA, Howarth AJ, Vargas L. E, Moghadam PZ, Snurr RQ, Mrksich M, Hupp JT & Farha OK (2016) Toward Design Rules for Enzyme Immobilization in Hierarchical Mesoporous Metal-Organic Frameworks. Chem, 1(1), 154-169.
Chen Q, Sun J, Li P, Hod I, Moghadam PZ, Kean ZS, Snurr RQ, Hupp JT, Farha OK & Stoddart JF (2016) A Redox-Active Bistable Molecular Switch Mounted inside a Metal–Organic Framework. Journal of the American Chemical Society, 138(43), 14242-14245.
Miller SE, Teplensky MH, Moghadam PZ & Fairen-Jimenez D (2016) Metal-organic frameworks as biosensors for luminescence-based detection and imaging. Interface Focus, 6(4), 20160027-20160027.
Hartlieb KJ, Holcroft JM, Moghadam PZ, Vermeulen NA, Algaradah MM, Nassar MS, Botros YY, Snurr RQ & Stoddart JF (2016) CD-MOF: A Versatile Separation Medium. Journal of the American Chemical Society, 138(7), 2292-2301.
Gómez-Gualdrón DA, Moghadam PZ, Hupp JT, Farha OK & Snurr RQ (2016) Application of Consistency Criteria To Calculate BET Areas of Micro- And Mesoporous Metal–Organic Frameworks. Journal of the American Chemical Society, 138(1), 215-224.
McGonigal PR, Deria P, Hod I, Moghadam PZ, Avestro A-J, Horwitz NE, Gibbs-Hall IC, Blackburn AK, Chen D, Botros YY , Wasielewski MR et al (2015) Electrochemically addressable trisradical rotaxanes organized within a metal–organic framework. Proceedings of the National Academy of Sciences, 112(36), 11161-11168.
Zeng Y, Moghadam PZ & Snurr RQ (2015) Pore Size Dependence of Adsorption and Separation of Thiophene/Benzene Mixtures in Zeolites. The Journal of Physical Chemistry C, 119(27), 15263-15273.
Holcroft JM, Hartlieb KJ, Moghadam PZ, Bell JG, Barin G, Ferris DP, Bloch ED, Algaradah MM, Nassar MS, Botros YY , Thomas KM et al (2015) Carbohydrate-Mediated Purification of Petrochemicals. Journal of the American Chemical Society, 137(17), 5706-5719.
Wang TC, Bury W, Gómez-Gualdrón DA, Vermeulen NA, Mondloch JE, Deria P, Zhang K, Moghadam PZ, Sarjeant AA, Snurr RQ , Stoddart JF et al (2015) Ultrahigh Surface Area Zirconium MOFs and Insights into the Applicability of the BET Theory. Journal of the American Chemical Society, 137(10), 3585-3591.
Karagiaridi O, Vermeulen NA, Klet RC, Wang TC, Moghadam PZ, Al-Juaid SS, Stoddart JF, Hupp JT & Farha OK (2015) Functionalized Defects through Solvent-Assisted Linker Exchange: Synthesis, Characterization, and Partial Postsynthesis Elaboration of a Metal–Organic Framework Containing Free Carboxylic Acid Moieties. Inorganic Chemistry, 54(4), 1785-1790.
Kim KC, Moghadam PZ, Fairen-Jimenez D & Snurr RQ (2015) Computational Screening of Metal Catecholates for Ammonia Capture in Metal–Organic Frameworks. Industrial & Engineering Chemistry Research, 54(13), 3257-3267.
Moghadam PZ, Ghosh P & Snurr RQ (2015) Understanding the Effects of Preadsorbed Perfluoroalkanes on the Adsorption of Water and Ammonia in MOFs. The Journal of Physical Chemistry C, 119(6), 3163-3170.
Zeng Y, Li H, Moghadam PZ, Xu Y, Hu J & Ju S (2014) Monte Carlo simulations of phase behavior and microscopic structure for supercritical CO2 and thiophene mixtures. The Journal of Supercritical Fluids, 95, 214-221.
Moghadam PZ & Düren T (2012) Origin of Enantioselectivity in a Chiral Metal–Organic Framework: A Molecular Simulation Study. The Journal of Physical Chemistry C, 116(39), 20874-20881.
Bew SP, Burrows AD, Düren T, Mahon MF, Moghadam PZ, Sebestyen VM & Thurston S (2012) Calix[4]arene-based metal–organic frameworks: towards hierarchically porous materials. Chemical Communications, 48(40), 4824-4824.
Vermoortele F, Maes M, Moghadam PZ, Lennox MJ, Ragon F, Boulhout M, Biswas S, Laurier KGM, Beurroies I, Denoyel R , Roeffaers M et al (2011) p-Xylene-Selective Metal–Organic Frameworks: A Case of Topology-Directed Selectivity. Journal of the American Chemical Society, 133(46), 18526-18529.
Zanca F, Glasby LT, Chong S, Chen S, Kim J, Fairen-Jimenez D, Monserrat B & Moghadam PZ () Computational techniques for characterisation of electrically conductive MOFs: quantum calculations and machine learning approaches. Journal of Materials Chemistry C, 9(39), 13584-13599.
Firth FCN, Cliffe MJ, Vulpe D, Aragones-Anglada M, Moghadam PZ, Fairen-Jimenez D, Slater B & Grey CP () Engineering new defective phases of UiO family metal–organic frameworks with water. Journal of Materials Chemistry A, 7(13), 7459-7469.
Zhang W, Maul J, Vulpe D, Moghadam PZ, Fairen-jimenez D, Mittleman DM, Zeitler JA, Erba A & Ruggiero M () Probing the Mechanochemistry of Metal-Organic Frameworks with Low-Frequency Vibrational Spectroscopy.
Cepeda J, Pérez-Mendoza M, Calahorro AJ, Casati N, Seco JM, Aragones-Anglada M, Moghadam PZ, Fairen-Jimenez D & Rodríguez-Diéguez A () Modulation of pore shape and adsorption selectivity by ligand functionalization in a series of “rob”-like flexible metal–organic frameworks. Journal of Materials Chemistry A, 6(36), 17409-17416.
Liu X-W, Guo Y, Tao A, Fischer M, Sun T-J, Moghadam PZ, Fairen-Jimenez D & Wang S-D () “Explosive” synthesis of metal-formate frameworks for methane capture: an experimental and computational study. Chem. Commun., 53(83), 11437-11440.
Moghadam PZ, Ivy JF, Arvapally RK, dos Santos AM, Pearson JC, Zhang L, Tylianakis E, Ghosh P, Oswald IWH, Kaipa U , Wang X et al () Adsorption and molecular siting of CO2, water, and other gases in the superhydrophobic, flexible pores of FMOF-1 from experiment and simulation. Chemical Science, 8(5), 3989-4000.
Katz MJ, Howarth AJ, Moghadam PZ, DeCoste JB, Snurr RQ, Hupp JT & Farha OK () High volumetric uptake of ammonia using Cu-MOF-74/Cu-CPO-27. Dalton Transactions, 45(10), 4150-4153.
Moghadam PZ, Fairen-Jimenez D & Snurr RQ () Efficient identification of hydrophobic MOFs: application in the capture of toxic industrial chemicals. Journal of Materials Chemistry A, 4(2), 529-536.
Firth F, Cliffe M, Vulpe D, Moghadam P, Fairen-jimenez D, slater B & Grey C () Engineering New Defective Phases of UiO Family Metal-Organic Frameworks with Water.
Hu J, Zanca F, Lambe P, Tsuji M, Wijeweera S, Todisco S, Mastrorilli P, Shirley W, Benamara M, Moghadam PZ & Beyzavi MH () (Thio)urea-Based Covalent Organic Framework as a Hydrogen-Bond-Donating Catalyst. ACS Applied Materials & Interfaces.
Zhang W, Maul J, Vulpe D, Moghadam PZ, Fairen-jimenez D, Mittleman DM, Zeitler JA, Erba A & Ruggiero M () Probing the Mechanochemistry of Metal-Organic Frameworks with Low-Frequency Vibrational Spectroscopy.
Yeardley A, Milton R, Moghadam P, Cordiner J & Brown S () Active Subsets as a Tool for Structural Characterisation and Selection of Metal-Organic Frameworks. Chemical Engineering Research and Design.

Chapters

Allen L, Atkinson J, Cordiner J, Zandi M & Moghadam PZ (2022) Wiz 4.0: A Novel Data Visualisation and Analytics Dashboard for a Graphical Approach to Industry 4.0, Computer Aided Chemical Engineering (pp. 1747-1752). Elsevier