2020 publications
- Abbas, Q. A. et al., 2020. Influence of annealing temperature on the structural and magnetic properties of FeGaSiB thin films. Thin Solid Films 701 137955. (10.1016/j.tsf.2020.137955)
- 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)
- Abdulridha, S. et al., 2020. Cellulose nanocrystals (CNCs) as hard templates for preparing mesoporous zeolite Y assemblies with high catalytic activity. Green Chemistry 22 (15), pp.5115-5122. (10.1039/D0GC01070G)
- Abdulridha, S. et al., 2020. Mesoporous zeolitic materials (MZMs) derived from zeolite Y using a microwave method for catalysis. Frontiers in Chemistry 8 482. (10.3389/fchem.2020.00482)
- 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)
- Agrawal, K. , Chakraborty, P. and Kishore, N. 2020. Thermochemical mapping of levulinic acid conversion to pentane in supercritical water within the framework of density functional theory. Energy and Fuels 34 (9), pp.11061-11072. (10.1021/acs.energyfuels.0c01906)
- Agrawal, K. and Kishore, N. 2020. DFT study on dibenzofuran conversion to cyclohexane and benzene in gas, water and methanol solvents. Journal of Molecular Graphics and Modelling 99 107629. (10.1016/j.jmgm.2020.107629)
- Agrawal, K. and Kishore, N. 2020. Study of conversion of bio-oil model compounds in supercritical water using density functional theory. Scientific Reports 10 (1) 9247. (10.1038/s41598-020-66237-w)
- Ahmed, G. et al., 2020. Green organic synthesis in supercritical water. In: Inamuddin, R. B. and Asiri, A. M. eds. Green Sustainable Process for Chemical and Environmental Engineering and Science: Sustainable Organic Synthesis. Elsevier. , pp.263-285. (10.1016/B978-0-12-819539-0.00011-7)
- 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)
- Akimenko, S. S. et al., 2020. SuSMoST: Surface Science Modeling and Simulation Toolkit. Journal of Computational Chemistry 41 (23), pp.2084-2097. (10.1002/jcc.26370)
- 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)
- Al-Wattar, E. 2020. kinetic and mechanistic studies of fading of fluorescent dyes and application in vital fields. PhD Thesis , Cardiff University.
- Alam, S. F. et al., 2020. A new seeding method, dry rolling applied to synthesize SAPO-34 zeolite membrane for nitrogen/methane separation. Journal of Membrane Science 602 117825. (10.1016/j.memsci.2020.117825)
- 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 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)
- 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)
- 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)
- Alvarez-Ruiz, D. et al., 2020. The effect of nano-twins on the thermoelectric properties of Ga2O3(ZnO)m (m = 9, 11, 13 and 15) homologous compounds. Journal of the European Ceramic Society 40 (15), pp.5549-5558. (10.1016/j.jeurceramsoc.2020.07.021)
- 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)
- 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) 031204. (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)
- Barma, S. V. et al., 2020. Structural, optoelectronic, and photoelectrochemical investigation of CdSe NC's prepared by hot injection method. ES Materials & Manufacturing 11 , pp.50-56. (10.30919/esmm5f1040)
- 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)
- Bianchi, F. et al., 2020. Persistence of a yeast-based (Hanseniaspora uvarum) attract-and-kill formulation against Drosophila suzukii on grape leaves. Insects 11 (11) 810. (10.3390/insects11110810)
- 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)
- Bischof, T. et al., 2020. An indenide-tethered N-heterocyclic stannylene. Acta Crystallographica Section E 76 (2), pp.254-256. (10.1107/S205698902000047X)
- 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)
- Blundell, T. J. et al., 2020. A transition metal-gallium cluster formed: via insertion of "gaI". Chemical Communications 56 (58), pp.8139-8142. (10.1039/D0CC03559A)
- 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)
- 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: Chechik, V. , Murphy, D. M. and Bode, B. E. eds. Electron Paramagnetic Resonance. Vol. 27, Royal Society of Chemistry. , pp.1-46. (10.1039/9781839162534-00001)
- Bramley, G. et al. 2020. Reconciling Work Functions and Adsorption Enthalpies for Implicit Solvent Models: A Pt (111)/Water Interface Case Study. Journal of Chemical Theory and Computation 16 (4), pp.2703-2715. (10.1021/acs.jctc.0c00034)
- Brekalo, I. et al., 2020. Manometric real-time studies of the mechanochemical synthesis of zeolitic imidazolate frameworks. Chemical Science 11 (8)(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)
- Casali, E. et al., 2020. Overriding ortho selectivity by template assisted meta-C-H activation of benzophenones. Chemical Communications 56 (53), pp.7281-7284. (10.1039/D0CC03172K)
- 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)
- Cerrato, E. et al. 2020. Comparison of the photocatalytic activity of ZnO/CeO2 and ZnO/Yb2O3 mixed systems in the phenol removal from water: a mechanicistic approach. Catalysts 10 (10) 1222. (10.3390/catal10101222)
- Cerrato, E. and Paganini, M. C. 2020. Mechanism of visible photon absorption: unveiling of the C3N4–ZnO photoactive interface by means of EPR spectroscopy. Materials Advances 1 (7), pp.2357-2367. (10.1039/D0MA00451K)
- Cerrato, E. , Paganini, M. C. and Giamello, E. 2020. Photoactivity under visible light of defective ZnO investigated by EPR spectroscopy and photoluminescence. Journal of Photochemistry and Photobiology A: Chemistry 397 112531. (10.1016/j.jphotochem.2020.112531)
- Cerrato, E. , Zickler, G. A. and Paganini, M. C. 2020. The role of Yb doped ZnO in the charge transfer process and stabilization. Journal of Alloys and Compounds 816 152555. (10.1016/j.jallcom.2019.152555)
- Chachvalvutikul, A. and Kaowphong, S. 2020. Direct Z-scheme FeVO4/BiOCl heterojunction as a highly efficient visible-light-driven photocatalyst for photocatalytic dye degradation and Cr(VI) reduction. Nanotechnology 31 (14) 145704. (10.1088/1361-6528/ab61d1)
- Chakraborty, P. , Agrawal, K. and Kishore, N. 2020. Kinetic modeling of conversion of levulinic Acid to valeric acid in supercritical water using the density functional theory framework. Industrial & Engineering Chemistry Research 59 (41)(10.1021/acs.iecr.0c02807)
- 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)
- Chen, H. et al., 2020. Recent advances in non-thermal plasma (NTP) catalysis towards C1 chemistry. Chinese Journal of Chemical Engineering 28 (8), pp.2010-2021. (10.1016/j.cjche.2020.05.027)
- Chen, W. et al., 2020. Hemoglobin-derived Fe-Nx<-S species supported by bamboo-shaped carbon nanotubes as efficient electrocatalysts for the oxygen evolution reaction. Carbon 168 , pp.588-596. (10.1016/j.carbon.2020.06.064)
- Chen, W. et al., 2020. General synthesis of single atom electrocatalysts: via a facile condensation-carbonization process. Journal of Materials Chemistry A 8 (48), pp.25959-25969. (10.1039/d0ta08115a)
- 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)
- Choudhuri, K. , Pramanik, M. and Mal, P. 2020. Direct c-s bond functionalization of benzyl mercaptan. European Journal of Organic Chemistry 2020 (25), pp.3906-3913. (10.1002/ejoc.202000521)
- Choudhuri, K. , Pramanik, M. and Mal, P. 2020. Noncovalent interactions in C–S bond formation reactions. The Journal of Organic Chemistry 85 (19), pp.11997-12011. (10.1021/acs.joc.0c01534)
- Chumha, N. et al., 2020. Photocatalytic activity of CuInS2 nanoparticles synthesized via a simple and rapid microwave heating process. Materials Research Express 7 (1) 015074. (10.1088/2053-1591/ab6885)
- 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) 045142. (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. 2020. The selective oxidation of cyclohexane via the in-situ utilisation of H2O2. PhD Thesis , Cardiff University.
- 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)
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- Dasgupta, A. et al. 2020. Triarylboran‐katalysierte Alkenylierungen von Arylestern mit Diazoverbindungen. Angewandte Chemie 132 (36), pp.15621-15626. (10.1002/ange.202007176)
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- 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)
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- 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. The 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)
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