School of Chemistry

Publications

Explore our articles, books, reports and papers written by experts in their field.

Recent publications

Abagale, S. A. et al., 2020. Field validation of senesced banana leaf extracts for trapping banana weevils on smallholder banana/plantain farms. Journal of Applied Entomology (10.1111/jen.12838)
Abdpour, S. et al., 2020. Amino-functionalized MIL-101(Cr) photodegradation enhancement by sulfur-enriched copper sulfide nanoparticles: an experimental and DFT study. Journal of Molecular Liquids 319 114341. (10.1016/j.molliq.2020.114341)
Abedin, M. A. et al., 2020. Probing the surface acidity of supported aluminum bromide catalysts. Catalysts 10 (8) 869. (10.3390/catal10080869)
Abis, L. et al. 2020. Plasmonic oxidation of glycerol using Au/TiO2 catalysts prepared by sol-immobilisation. Catalysis Letters 150 (1), pp.49-55. (10.1007/s10562-019-02952-y)
Abis, L. et al. 2020. The effect of polymer addition on base catalysed glycerol oxidation using gold and gold-palladium bimetallic catalysts. Topics in Catalysis 63 , pp.394-402. (10.1007/s11244-019-01212-y)
Adesina, A. S. et al. 2020. Electric field measurements reveal the pivotal role of Cofactor-Substrate interaction in dihydrofolate reductase catalysis. ACS Catalysis 10 (14), pp.7907-7914. (10.1021/acscatal.0c01856)
Agarwal, N. et al. 2020. The direct synthesis of hydrogen peroxide over Au and Pd nanoparticles: A DFT study. Catalysis Today (10.1016/j.cattod.2020.09.001)
Aïssaoui, L. , Knowles, P. J. and Bouledroua, M. 2020. The role of spin-orbit effects in the mobility of N+ ions moving in a helium gas at low temperature. European Physical Journal D 74 155. (10.1140/epjd/e2020-10138-0)
Akram, A. et al. 2020. The direct synthesis of hydrogen peroxide using a combination of a hydrophobic solvent and water. Catalysis Science and Technology 10 (24), pp.8203-8212. (10.1039/D0CY01163K)
Al-Hetlani, E. et al., 2020. Spirobifluorene-based polymers of intrinsic microporosity for the adsorption of methylene blue from wastewater: effect of surfactants. Royal Society Open Science 7 (9) 200741. (10.1098/rsos.200741)
Aldridge, J. K. et al. 2020. Ambient temperature CO oxidation using palladium-platinum bimetallic catalysts supported on tin oxide/alumina. Catalysts 10 (11) 1223. (10.3390/catal10111223)
Allender, C. J. et al. 2020. The role of growth directors in controlling the morphology of hematite nanorods. Nanoscale Research Letters 15 161. (10.1186/s11671-020-03387-w)
Alotaibi, A. A. et al., 2020. The crystal structure of 2-(3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-8H-indeno[1,2-d]thiazole, C25H17BrFN3S. Zeitschrift für Kristallographie - New Crystal Structures 235 (4), pp.897-899. (10.1515/ncrs-2020-0088)
Alotaibi, A. A. et al., 2020. The crystal structure of 5-(2-(4-fluorophenyl)hydrazono)-4-methyl-2-((3-(5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl)-1-phenyl-1H-pyrazol-4-yl)methylene) hydrazono)-2,5-dihydrothiazole dimethylformamide monosolvate, C30H25FN10S?C3H7NO. Zeitschrift für Kristallographie - New Crystal Structures 235 (4), pp.915-917. (10.1515/ncrs-2020-0101)
Alotibi, M. F. et al., 2020. Crystal structure of (E)-3-(3-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-1-phenyl-1H-pyrazol-4-yl)-1-phenylprop-2-en-1-one, C27H21N5O. Zeitschrift für Kristallographie - New Crystal Structures 235 (2), pp.479-481. (10.1515/ncrs-2019-0779)
Alotibi, M. F. et al., 2020. Crystal structure of 3-(2-(5-(4-fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl)thiazol-4-yl)-2H-chromen-2-one, C28H20FN3O2S. Zeitschrift für Kristallographie - New Crystal Structures 235 (2), pp.469-471. (10.1515/ncrs-2019-0776)
Alshammari, N. and Platts, J. A. 2020. Theoretical study of copper binding to GHK peptide. Computational Biology and Chemistry 86 107265. (10.1016/j.compbiolchem.2020.107265)
Amakali, T. et al., 2020. Structural and optical properties of ZnO thin films prepared by molecular precursor and sol-gel methods. Crystals 10 (2), pp.-. 132. (10.3390/cryst10020132)
Amri, N. and Wirth, T. 2020. Automated electrochemical selenenylations. Synthesis 52 (12), pp.1751-1761. (10.1055/s-0039-1690868)
Ansari, M. H. D. et al., 2020. Recent advances in plant nanobionics and nanobiosensors for toxicology applications. Current Nanoscience 16 (1), pp.27-41. (10.2174/1573413715666190409101305)
Aparicio, P. A. and De Leeuw, N. . H. 2020. Electronic structure, ion diffusion and cation doping in the Na4VO(PO4)2 compound as a cathode material for Na-ion batteries. Physical Chemistry Chemical Physics 22 (12), pp.6653-6659. (10.1039/C9CP05559B)
Aprà, E. et al., 2020. NWChem: Past, present, and future. Journal of Chemical Physics 152 (18) 184102. (10.1063/5.0004997)
Argent, S. P. et al., 2020. A family of diastereomeric dodecanuclear coordination cages based on inversion of chirality of individual triangular cyclic helicate faces. Chemical Science 11 (37), pp.10167-10174. (10.1039/D0SC04347H)
Asghar, A. et al., 2020. Ethylenediamine loading into a manganese-based metal-organic framework enhances water stability and carbon dioxide uptake of the framework. Royal Society Open Science 7 (3) 191934. (10.1098/rsos.191934)
Baashen, M. A. et al., 2020. The crystal structure of 1-phenyl-N-(4,5,6,7-tetrabromo-1,3-dioxoisoindolin-2-yl)-5-(thiophen-2-yl)-1H-pyrazole-3-carboxamide-dimethylformamide (1/1) C22H10Br4N4O3S. Zeitschrift für Kristallographie - New Crystal Structures (10.1515/ncrs-2020-0607)
Bade, B. R. et al., 2020. Investigations of the structural, optoelectronic and band alignment properties of Cu2ZnSnS4 prepared by hot-injection method towards low-cost photovoltaic applications. Journal of Alloys and Compounds 854 157093. (10.1016/j.jallcom.2020.157093)
Baer, D. R. et al., 2020. XPS guide: Charge neutralization and binding energy referencing for insulating samples. Journal of Vacuum Science and Technology A 38 (3) 31204. (10.1116/6.0000057)
Baragau, I. et al., 2020. Continuous hydrothermal flow synthesis of blue-luminescent, excitation-independent nitrogen-doped carbon quantum dots as nanosensors. Journal of Materials Chemistry A 8 (6), pp.3270-3279. (10.1039/C9TA11781D)
Barlocco, I. et al., 2020. Role of defects in carbon materials during metal-free formic acid dehydrogenation. Nanoscale 12 (44), pp.22768-22777. (10.1039/D0NR05774F)
Barlow, V. L. et al. 2020. Effect of membrane fusion protein AdeT1 on the antimicrobial resistance of Escherichia coli. Scientific Reports 10 (1) 20464. (10.1038/s41598-020-77339-w)
Basak, S. et al. 2020. B(C6F5)3-catalyzed direct C3 alkylation of indoles and oxindoles. ACS Catalysis 10 (8), pp.4835-4840. (10.1021/acscatal.0c01141)
Baviskar, P. K. et al., 2020. ZnO/CuSCN nano-heterostructure as a highly efficient field emitter: a combined experimental and theoretical investigation. ACS Omega 5 (12), pp.6715-6724. (10.1021/acsomega.0c00006)
Bemmer, V. et al., 2020. Rationalization of the X-ray photoelectron spectroscopy of aluminium phosphates synthesized from different precursors. RSC Advances 10 (14), pp.84448452. (10.1039/C9RA08738A)
Bhorde, A. et al., 2020. Highly stable and Pb-free bismuth-based perovskites for photodetector applications. New Journal of Chemistry 44 (26), pp.11282-11290. (10.1039/D0NJ01806F)
Biot, N. and Bonifazi, D. 2020. Chalcogen-bond driven molecular recognition at work. Coordination Chemistry Reviews 413 213243. (10.1016/j.ccr.2020.213243)
Biot, N. and Bonifazi, D. 2020. Concurring Chalcogen- and halogen-bonding interactions in supramolecular polymers for crystal engineering applications. Chemistry - A European Journal 26 (13), pp.2904-2913. (10.1002/chem.201904762)
Biot, N. , Romito, D. and Bonifazi, D. 2020. Substituent-controlled tailoring of chalcogen-bonded supramolecular nanoribbons in the solid state. Crystal Growth and Design 21 (1), pp.536-543. (10.1021/acs.cgd.0c01318)
Blackmore, R. H. et al., 2020. The electronic structure, surface properties, and in situ N2O decomposition of mechanochemically synthesised LaMnO3. Physical Chemistry Chemical Physics 22 (34), pp.18774-18787. (10.1039/D0CP00793E)
Bonsignore, R. et al. 2020. Carbon-Phosphorus coupling from C^N cyclometalated Au(III) complexes. Chemistry - A European Journal 26 (19), pp.4226-4231. (10.1002/chem.201905392)
Botchway, C. H. et al. 2020. Influence of topology and brønsted acid site presence on methanol diffusion in zeolites beta and MFI. Catalysts 10 (11) 1342. (10.3390/catal10111342)
Botchway, C. H. et al., 2020. H-FER-Catalysed conversion of methanol to ethanol and dimethyl ether: a first-principles DFT study. South African Journal of Chemistry
Botti, L. 2020. Metal-incorporated beta zeolites: A versatile class of catalysts for continuous glucose upgrading. PhD Thesis , Cardiff University.
Botti, L. et al. 2020. Solvent‐activated hafnium‐containing zeolites enable selective and continuous glucose–fructose isomerisation. Angewandte Chemie International Edition 59 (45), pp.20017-20023. (10.1002/anie.202006718)
Bouleghlimat, E. , Bethell, D. and Davies, P. R. 2020. The photocatalytic destruction of cinnamic acid and cinnamyl alcohol: mechanism and the effect of aqueous ions. Chemosphere 251 126469. (10.1016/j.chemosphere.2020.126469)
Bowker, M. and Jones, W. 2020. Methanol photo-reforming with water on pure titania for hydrogen production. Philosophical Transactions A: Mathematical, Physical and Engineering Sciences 378 (2176) 20200058. (10.1098/rsta.2020.0058)
Bowker, M. et al. 2020. Al-doped Fe2O3 as a support for molybdenum oxide methanol oxidation catalysts. Physical Chemistry Chemical Physics 22 , pp.18911-18918. (10.1039/D0CP01192D)
Bowker, M. et al. 2020. A simple angle-resolved thermal molecular beam reactor: applied to CO oxidation on Pt{110}. Catalysts 10 (11) 1229. (10.3390/catal10111229)
Bowker, M. et al. 2020. CO2 hydrogenation to CH3OH over PdZn catalysts, with reduced CH4 production. ChemCatChem 12 (23), pp.6024-6032. (10.1002/cctc.202000974)
Bracci, M. et al., 2020. Paramagnetic species in catalysis research: a unified approach towards (the role of EPR in) heterogeneous, homogeneous and enzyme catalysis. In: Electron Paramagnetic Resonance. Vol. 27, (10.1039/9781839162534-00001)
Brekalo, I. et al., 2020. Manometric real-time studies of the mechanochemical synthesis of zeolitic imidazolate frameworks. Chemical Science 11 (8), pp.2141-2147. (10.1039/C9SC05514B)
Cai, R. et al., 2020. Gas-phase deposition of gold nanoclusters to produce heterogeneous glycerol oxidation catalysts. ACS Applied Nano Materials 3 (6), pp.4997-5001. (10.1021/acsanm.0c01140)
Caiti, M. , Tarantino, G. and Hammond, C. 2020. Developing a continuous process for isosorbide production from renewable sources. ChemCatChem 12 (24), pp.6393-6400. (10.1002/cctc.202001278)
Campisi, S. et al., 2020. DFT-assisted spectroscopic studies on the coordination of small ligands to palladium: from isolated ions to nanoparticles. Journal of Physical Chemistry C 124 (8), pp.4781-4790. (10.1021/acs.jpcc.9b09791)
Cantos, P. M. , Pope, S. J. A. and Cahill, C. L. 2020. Correction: An exploration of homo- and heterometallic UO22+ hybrid materials containing chelidamic acid: synthesis, structure, and luminescence studies. CrystEngComm 22 (29) 4952. (10.1039/D0CE90092C)
Carden, J. L. , Dasgupta, A. and Melen, R. L. 2020. Halogenated triarylboranes: synthesis, properties and applications in catalysis. Chemical Society Reviews 49 (6), pp.1706-1725. (10.1039/C9CS00769E)
Caswell, T. et al. 2020. Enhancement in the rate of nitrate degradation on Au- and Ag-decorated TiO2 photocatalysts. Catalysis Science and Technology 10 (7), pp.2083-2091. (10.1039/C9CY02473E)
Catlow, C. R. et al. 2020. Science to enable the circular economy. Philosophical Transactions of the Royal Society A: Mathematical Physical and Engineering Sciences 378 (2176)(10.1098/rsta.2020.0060)
Catlow, C. R. A. 2020. Computational modelling as a tool in structural science. IUCrJ 7 (5), pp.778-779. (10.1107/S2052252520011793)
Catlow, C. R. A. , Wells, P. and Gianolio, D. 2020. Synchrotron radiation techniques in catalytic science. Physical Chemistry Chemical Physics 22 (34), pp.18745-18746. (10.1039/D0CP90186E)
Cattaneo, S. et al. 2020. Continuous flow synthesis of bimetallic AuPd catalysts for the selective oxidation of 5-hydroxymethylfurfural to 2,5-furandicarboxylic acid. ChemNanoMat 6 (3), pp.420-426. (10.1002/cnma.201900704)
Chachvalvutikul, A. et al., 2020. Enhanced photocatalytic degradation of organic pollutants and hydrogen production by a visible light-responsive Bi2WO6/ZnIn2S4 heterojunction. Applied Surface Science 148885. (10.1016/j.apsusc.2020.148885)
Charles, B. et al., 2020. Phase behavior and substitution limit of mixed cesium-formamidinium lead triiodide perovskites. Chemistry of Materials 32 (6), pp.2282-2291. (10.1021/acs.chemmater.9b04032)
Cheruiyot, D. et al., 2020. Farmers' perception and evaluation of brachiaria Grass (brachiaria spp.) genotypes for smallholder cereal-livestock production in East Africa. Agriculture 10 (7) 268. (10.3390/agriculture10070268)
Chutia, A. et al., 2020. A DFT and KMC based study on the mechanism of the water gas shift reaction on the Pd(100) surface. Physical Chemistry Chemical Physics 22 (6), pp.3620-3632. (10.1039/C9CP05476F)
Cooper, A. et al. 2020. Influence of the preparation method of Ag-K/CeO2-ZrO2-Al2O3 catalysts on their structure and activity for the simultaneous removal of soot and NOx. Catalysts 10 (3), pp.-. 294. (10.3390/catal10030294)
Craco, L. and Leoni, S. 2020. Mott and pseudogap localization in pressurized NbO2. Physical Review B 102 (4) 45142. (10.1103/PhysRevB.102.045142)
Craco, L. and Leoni, S. 2020. Pressure-induced orbital-selective metal from the Mott insulator BaFe2Se3. Physical Review B 101 (24) 245133. (10.1103/PhysRevB.101.245133)
Craco, L. and Leoni, S. 2020. All-t2g electronic orbital reconstruction of monoclinic MoO2 battery material. Applied Sciences 10 (17) 5730. (10.3390/app10175730)
Cresser-Brown, J. et al. 2020. An unexpected co-crystal structure of the calpain PEF(S) domain with Hfq reveals a potential chaperone function of Hfq. Acta Crystallographica Section F: Structural Biology Communications 76 (2), pp.81-85. (10.1107/S2053230X20001181)
Crole, D. A. et al. 2020. The direct synthesis of hydrogen peroxide from H2 and O2 using Pd-Ni/TiO2 catalysts. Philosophical Transactions A: Mathematical, Physical and Engineering Sciences 378 (2176) 20200062. (10.1098/rsta.2020.0062)
Crombie, C. M. et al. 2020. The influence of reaction conditions on the oxidation of cyclohexane via the in-situ production of H2O2. Catalysis Letters (10.1007/s10562-020-03281-1)
Cross, R. W. and Dzade, N. Y. 2020. First-principles mechanistic insights into the hydrogen evolution reaction on Ni2P electrocatalyst in alkaline medium. Catalysts 10 (3) 307. (10.3390/catal10030307)
Cuenca, J. A. et al. 2020. Dielectric spectroscopy of hydrogen treated hexagonal boron nitride ceramics. ACS Applied Electronic Materials 2 (5), pp.1193-1202. (10.1021/acsaelm.9b00767)
Dambatta, M. B. et al. 2020. Transition metal free α-C-alkylation of ketones using secondary alcohols. Tetrahedron 76 (45) 131571. (10.1016/j.tet.2020.131571)
Dasgupta, A. et al. 2020. Borane-ctalyzed stereoselective C–H insertion, cyclopropanation, and ring-opening reactions. Chem 6 (9), pp.2364-2381. VOLUME 6, ISSUE 9, P2364-2381, SEPTEMBER 10, 2020. (10.1016/j.chempr.2020.06.035)
Dasgupta, A. et al. 2020. Triarylborane-catalysed alkenylation reaction of aryl esters with diazo compounds. Angewandte Chemie International Edition 59 (36), pp.15492-15496. (10.1002/anie.202007176)
Dasgupta, A. et al. 2020. Triarylboran‐katalysierte Alkenylierungen von Arylestern mit Diazoverbindungen. Angewandte Chemie 132 (36), pp.15621-15626. (10.1002/ange.202007176)
Davies, P. R. and Morgan, D. J. 2020. Practical guide for x-ray photoelectron spectroscopy: applications to the study of catalysts. Journal of Vacuum Science and Technology A 38 (3) 33204. (10.1116/1.5140747)
Day, A. H. et al. 2020. Towards dual SPECT/optical bioimaging with a mitochondrial targeting, 99mTc(i) radiolabelled 1,8-naphthalimide conjugate. Dalton Transactions 49 (2), pp.511-523. (10.1039/C9DT04024B)
Day, A. H. et al. 2020. Targeted cell imaging properties of a deep red luminescent iridium(III) complex conjugated with a c-Myc signal peptide. Chemical Science 11 (6), pp.1599-1606. (10.1039/C9SC05568A)
Delarmelina, M. et al. 2020. Hetero-Diels–Alder reactions of quinone methides: the origin of the α-regioselectivity of 3-methylene-1,2,4-naphthotriones. Journal of Organic Chemistry 85 (11), pp.7001-7013. (10.1021/acs.joc.0c00215)
Delarmelina, M. , Quesne, M. G. and Catlow, C. R. A. 2020. Modelling the bulk properties of ambient pressure polymorphs of zirconia. Physical Chemistry Chemical Physics 22 (12), pp.6660-6676. (10.1039/D0CP00032A)
Dervin, D. et al., 2020. Probing the dynamics and structure of confined benzene in MCM-41 based catalysts. Physical Chemistry Chemical Physics 22 (20), pp.11485-11489. (10.1039/D0CP01196G)
Devlia, J. et al., 2020. The formation of methanol from glycerol bio-waste over doped ceria based catalysts. Philosophical Transactions A: Mathematical, Physical and Engineering Sciences 378 (2176) 20200059. (10.1098/rsta.2020.0059)
Dlamini, M. W. et al. 2020. Post doped nitrogen-decorated hollow carbon spheres as a support for Co Fischer-Tropsch catalysts. Catalysis Today 342 , pp.99-110. (10.1016/j.cattod.2019.01.070)
Dordevic, L. et al. 2020. O-doped nanographenes: a pyrano/pyrylium route towards semiconducting cationic mixed-valence complexes. Angewandte Chemie International Edition 59 (10), pp.4106-4114. (10.1002/anie.201914025)
Dosso, J. 2020. Bn-doped Pi-conjugated materials: from monomeric to polymeric borazine arraysS. PhD Thesis , Cardiff University.
Dosso, J. et al. 2020. Boron-nitrogen-doped nanographenes: a synthetic tale from borazine precursors. Chemistry - A European Journal 26 (29), pp.6608-6621. (10.1002/chem.201905794)
Douthwaite, M. et al. 2020. Glycerol selective oxidation to lactic acid over AuPt nanoparticles; enhancing reaction selectivity and understanding by support modification. ChemCatChem 12 (11), pp.3097-3107. (10.1002/cctc.202000026)
Dresselhaus, T. et al., 2020. Coupling electrons and vibrations in molecular quantum chemistry. Journal of Chemical Physics 153 (21) 214114. (10.1063/5.0032900)
Dzade, N. Y. 2020. CO2 and H2O coadsorption and reaction on the low-index surfaces of tantalum nitride: a first-principles DFT-D3 investigation. Catalysts 10 (10) 1217. (10.3390/catal10101217)
Dzade, N. Y. 2020. First-principles insights into the interface chemistry between 4-Aminothiophenol and Zinc Phosphide (Zn3P2) nanoparticles. ACS Omega 5 (2)(10.1021/acsomega.9b02736)
Dzade, N. Y. 2020. Unravelling the early oxidation mechanism of zinc phosphide (Zn3P2) surfaces by adsorbed oxygen and water: a first-principles DFT-D3 investigation. Physical Chemistry Chemical Physics 22 (3)(10.1039/C9CP03902C)
Eaimsumang, S. et al., 2020. Ceria nanorod supported gold nanoparticles as structured catalysts for the oxidative steam reforming of methanol: Effect of CTAB concentration on physiochemical properties and catalyst performance. Journal of Catalysis 392 , pp.254-265. (10.1016/j.jcat.2020.10.023)
Eberlein, L. et al., 2020. Tautomeric equilibria of nucleobases in the hachimoji expanded genetic alphabet. Journal of Chemical Theory and Computation 16 (4), pp.2766-2777. (10.1021/acs.jctc.9b01079)
Edgar, R. J. et al., 2020. Inhibition of the photochromic behaviour of a 3,3-diphenyl-3H-pyrano[3,2-f]quinoline ligand by coordination to Ag(I) ions. Dyes and Pigments 175 108167. (10.1016/j.dyepig.2019.108167)
Eissa, N. et al. 2020. EJP18 peptide derived from the juxtamembrane domain of epidermal growth factor receptor represents a novel membrane-active cell-penetrating peptide. Biochemical Journal 477 (1), pp.45-60. (10.1042/BCJ20190452)
El-Betany, A. M. et al. 2020. Auto-fluorescent PAMAM-based dendritic molecules and their potential application in pharmaceutical sciences. International Journal of Pharmaceutics 579 119187. (10.1016/j.ijpharm.2020.119187)
Elliott, M. C. 2020. How to succeed in organic chemistry. Oxford: Oxford University Press.
Elsherbini, M. et al. 2020. Selective hydroboration - oxidation of terminal alkenes under flow conditions. Chemistry - A European Journal 26 (50), pp.11423-11425. (10.1002/chem.202001650)
Engel, J. et al. 2020. The influence of oxygen vacancy position and Ce3+ ion localisation on the properties of small gold clusters supported on CeO2-x(111). Journal of Materials Chemistry A 8 (31), pp.15193- 16026. (10.1039/D0TA01398F)
Escobar Steinvall, S. et al., 2020. Towards defect-free thin films of the earth-abundant absorber zinc phosphide by nanopatterning. Nanoscale Advances (10.1039/D0NA00841A)
Evans, A. et al., 2020. Optimisation of Cu+ impregnation of MOF-74 to improve CO/N2 and CO/CO2 separations. RSC Advances 10 (9), pp.5152-5162. (10.1039/C9RA10115B)
Evans, C. D. et al. 2020. Enhancing the understanding of the glycerol to lactic acid reaction mechanism over AuPt/TiO2 under alkaline conditions. Journal of Chemical Physics 152 (13) 134705. (10.1063/1.5128595)
Eya, H. I. , Ntsoenzok, E. and Dzade, N. Y. 2020. First-principles investigation of the structural, elastic, electronic, and optical properties of α– and β–SrZrS3: implications for photovoltaic applications. Materials 13 (4) 978. (10.3390/ma13040978)
Farkaš, B. and de Leeuw, N. H. 2020. Towards a morphology of cobalt nanoparticles: size and strain effects. Nanotechnology 31 (19) 195711. (10.1088/1361-6528/ab6fe0)
Farkaš, B. et al. 2020. Adsorbate-induced segregation of cobalt from PtCo nanoparticles: modeling Au doping and core AuCo alloying for the improvement of fuel cell cathode catalysts. Journal of Physical Chemistry C 124 (33), pp.18321-18334. (10.1021/acs.jpcc.0c04460)
Farkas, B. , Terranova, U. and de Leeuw, N. H. 2020. Binding modes of carboxylic acids on cobalt nanoparticles. Physical Chemistry Chemical Physics 22 (3)(10.1039/C9CP04485J)
Faulkner, C. and de Leeuw, N. H. 2020. In silico studies of the interactions between propofol and fentanyl using Gaussian accelerated molecular dynamics. Journal of Biomolecular Structure and Dynamics (10.1080/07391102.2020.1814415)
Faulkner, C. et al. 2020. Atomistic molecular dynamics simulations of propofol and fentanyl in phosphatidylcholine lipid bilayers. ACS Omega 5 (24), pp.14340-14353. (10.1021/acsomega.0c00813)
Folli, A. et al. 2020. A novel dual mode X-band EPR resonator for rapid in situ microwave heating. Journal of Magnetic Resonance 310 106644. (10.1016/j.jmr.2019.106644)
Folli, A. et al. 2020. Probing the structure of copper(II)-casiopeina type coordination complexes [Cu(O-O)(N-N)]+ by EPR and ENDOR spectroscopy. Journal of Catalysis (10.1016/j.jcat.2020.07.016)
Forensi, S. et al., 2020. 1,8,10-Trisubstituted anthracenyl hydrocarbons: Towards versatile scaffolds for multiple-H-bonded recognition arrays. Tetrahedron 76 (51) 131299. (10.1016/j.tet.2020.131299)
Francis, S. 2020. A computational study of the stability and growth of Au clusters on MgO.. PhD Thesis , Cardiff University.
Freakley, S. J. et al., 2020. Gold–palladium colloids as catalysts for hydrogen peroxide synthesis, degradation and methane oxidation: effect of the PVP stabiliser. Catalysis Science and Technology 10 (17), pp.5935-5944. (10.1039/D0CY00915F)
Freeman, E. et al. 2020. PrFeO 3 photocathodes prepared through spray pyrolysis. ChemElectroChem 7 (6), pp.1365-1372. (10.1002/celc.201902005)
Fresta, E. et al., 2020. Origin of the exclusive ternary electroluminescent behavior of BN-doped nanographenes in efficient single-component white light-emitting electrochemical cells. Advanced Functional Materials 30 (33) 1906830. (10.1002/adfm.201906830)
Fresta, E. et al., 2020. Revealing the impact of heat generation using nanographene-based light-emitting electrochemical cells. ACS Applied Materials and Interfaces 12 (25), pp.28426-28434. (10.1021/acsami.0c06783)
Galstyan, A. et al., 2020. π‐Extended Donor–Acceptor Porphyrins and Metalloporphyrins for Antimicrobial Photodynamic Inactivation. Chemistry - A European Journal 26 (37), pp.8262-8266. (10.1002/chem.201905372)
Gao, S. et al., 2020. Uncovering the chemistry of C–C bond formation in C-nucleoside biosynthesis: crystal structure of a C-glycoside synthase/PRPP complex. Chemical Communications 56 (55), pp.7617-7620. (10.1039/D0CC02834G)
García, T. et al., 2020. Insights into the production of upgraded biofuels using Mg-loaded mesoporous ZSM-5 zeolites. ChemCatChem 12 (20), pp.5236-5249. (10.1002/cctc.202000787)
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