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Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719, Hamad, S., Balestra, S. R. G., Issa, R., Sparks, T. D., Fernandes, A., Griffiths, B. L., Moran, R. F., McKay, D. and Ashbrook, S. E. (2025) Capturing local compositional fluctuations in NMR modelling of solid solutions. Chemical Science, 16 (41). pp. 19357-19369. ISSN 2041-6520 doi: 10.1039/d5sc04550a

Towers Tompkins, F. K., Gousseva, E., Bennett, R. A. ORCID: https://orcid.org/0000-0001-6266-3510, Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 and Lovelock, K. R. J. ORCID: https://orcid.org/0000-0003-1431-269X (2025) Core-level binding energies describe electrostatic potentials at nuclei for ionic liquids. Physical Chemistry Chemical Physics, 27 (41). pp. 22004-22012. ISSN 1463-9076 doi: 10.1039/d5cp02411k

Posligua, V., Plata, J. J., Márquez, A. M., Sanz, J. F. and Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 (2024) Theoretical investigation of the lattice thermal conductivities of II–IV–V₂ pnictide semiconductors. ACS Applied Electronic Materials, 6 (5). pp. 2951-2959. ISSN 2637-6113 doi: 10.1021/acsaelm.3c01242

Carrillo-Berdugo, I., Navas, J. and Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 (2024) Probing the thermal resistance of solid-liquid interfaces in nanofluids with molecular dynamics. The Journal of Chemical Physics, 160 (1). 014706. ISSN 0021-9606 doi: 10.1063/5.0177616

Grover, S., Burger, S., Butler, K. T., Hemmer, K., Vervoorts, P., Kieslich, G. and Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 (2023) Tuning the mechanical properties of dicyanamide-based molecular perovskites. CrystEngComm, 25 (23). pp. 3439-3444. ISSN 1466-8033 doi: 10.1039/D3CE00009E

Fotopoulos, V., Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 and Shluger, A. L. (2023) Thermodynamic analysis of the interaction between metal vacancies and hydrogen in bulk Cu. Physical Chemistry Chemical Physics, 25 (13). pp. 9168-9175. ISSN 1463-9076 doi: 10.1039/d3cp00085k

Gousseva, E., Midgley, S. D., Seymour, J. M., Seidel, R., Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 and Lovelock, K. R. J. ORCID: https://orcid.org/0000-0003-1431-269X (2022) Understanding X-ray photoelectron spectra of ionic liquids: experiments and simulations of 1-butyl-3-methylimidazolium thiocyanate. Journal of Physical Chemistry B, 126 (49). pp. 10500-10509. ISSN 1520-6106 doi: 10.1021/acs.jpcb.2c06372

Carrillo-Berdugo, I., Sampalo-Guzmán, J., Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719, Zorrilla, D. and Navas, J. (2022) Interface chemistry effects in nanofluids: Experimental and computational study of oil-based nanofluids with gold nanoplates. Journal of Molecular Liquids, 362. 119762. ISSN 0167-7322 doi: 10.1016/j.molliq.2022.119762

Menendez-Proupin, E., Grover, S., Montero-Alejo, A. L., Midgley, S. D., Butler, K. T. and Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 (2022) Mixed-anion mixed-cation perovskite (FAPbI3)0.875(MAPbBr3)0.125: an ab initio molecular dynamics study. Journal of Materials Chemistry A, 10 (17). pp. 9592-9603. ISSN 0959-9428 doi: 10.1039/D1TA10860C

Antunes, L. M. ORCID: https://orcid.org/0000-0002-4867-5635, Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 and Butler, K. T. ORCID: https://orcid.org/0000-0001-5432-5597 (2022) Distributed representations of atoms and materials for machine learning. npj Computational Materials, 8 (1). 44. ISSN 2057-3960 doi: 10.1038/s41524-022-00729-3

Tippireddy, S., azough, F., Vikram, V., Bhui, A., Chater, P., Kepaptsoglou, D., Ramasse, Q., Freer, R., Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719, Biswas, K., Vaqueiro, P. ORCID: https://orcid.org/0000-0001-7545-6262 and Powell, A. V. (2022) Local structural distortions and reduced thermal conductivity in Ge-Substituted Chalcopyrite. Journal of Materials Chemistry A, 10 (44). pp. 23874-23885. ISSN 0959-9428 doi: 10.1039/D2TA06443J

Burger, S., Grover, S., Butler, K. T., Bostrom, H. L. B., Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 and Kieslich, G. (2021) Tilt and shift polymorphism in molecular perovskites. Materials Horizons, 2021 (9). pp. 2444-2450. ISSN 2051-6355 doi: 10.1039/D1MH00578B

Midgley, S. D., Di Tommaso, D., Fleitmann, D. and Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 (2021) Sulfate and molybdate incorporation at the calcite–water interface: insights from ab initio molecular dynamics. ACS Earth and Space Chemistry, 5 (8). pp. 2066-2073. ISSN 2472-3452 doi: 10.1021/acsearthspacechem.1c00131

Moss, B., Wang, Q., Butler, K. T., Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719, Selim, S., Regoutz, A., Hisatomi, T., Godin, R., Payne, D. J., Katizas, A. G., Domen, K., Steir, L. and Durrant, J. R. (2021) Linking in-situ charge accumulation to electronic structure in doped SrTiO3 reveals design principles for hydrogen evolving photocatalysts. Nature Materials, 20. pp. 511-517. ISSN 1476-1122 doi: 10.1038/s41563-020-00868-2

Posligua, V., Bustamante, J., Zambrano, C. H., Harris, P. J. F. and Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 (2020) The closed-edge structure of graphite and the effect of electrostatic charging. RSC Advances, 10 (13). pp. 7994-8001. ISSN 2046-2069 doi: 10.1039/c9ra09913a

MartÍnez-Merino, P., Midgley, S. D., MartÍn, E. I., EstellÍ, P., Alcántara, R., Sánchez-Coronilla, A., Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 and Navas, J. (2020) Novel WS2-based nanofluids for concentrating solar power: performance characterization and molecular-level insights. ACS Applied Materials and Interfaces, 12 (5). pp. 5793-5804. ISSN 1944-8244 doi: 10.1021/acsami.9b18868

Knappert, M., Jin, T., Midgley, S. D., Wu, G., Scherman, O. A., Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 and Colquhoun, H. M. (2019) Supramolecular complexation between chain-folding poly(ester-imide)s and polycyclic aromatics: a fractal-based pattern of NMR ring-current shielding. Polymer Chemistry, 48. pp. 6641-6650. ISSN 1759-9954 doi: 10.1039/c9py01460h

Moran, R. F., McKay, D., Tornstrom, P. C., Aziz, A., Fernandez, A., Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 and Ashbrook, S. E. (2019) Ensemble-based modelling of the NMR spectra of solid solutions: cation disorder in Y2(Sn,Ti)2O7. Journal of the American Chemical Society, 141 (44). pp. 17838-17846. ISSN 0002-7863 doi: 10.1021/jacs.9b09036

Mangelis, P., Aziz, A., da Silva, I., Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719, Vaqueiro, P. ORCID: https://orcid.org/0000-0001-7545-6262 and Powell, A. V. (2019) Understanding the origin of disorder in kesterite-type chalcogenides A2ZnBQ4 (A = Cu, Ag; B = Sn, Ge; Q = S, Se): the influence of inter-layer interactions. Physical Chemistry Chemical Physics, 21 (35). pp. 19311-19317. ISSN 1463-9076 doi: 10.1039/C9CP03630J

Mellan, T. A., Aziz, A., Xia, Y., Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 and Duff, A. I. (2019) Electron and phonon interactions and transport in the ultrahigh-temperature ceramic ZrC. Physical Review B, 99. 094310. ISSN 2469-4489 doi: 10.1103/PhysRevB.99.094310

Ontaneda, J., Vines, F., Illas, F. and Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 (2019) Double-well potential energy surface in the interaction between h-BN and Ni(111). Physical Chemistry Chemical Physics, 21. pp. 10888-10894. ISSN 1463-9076 doi: 10.1039/C8CP07880G

Shenoy, J., Hart, J. N., Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719, Allan, N. L. and Cazorla, C. (2019) Mixing thermodynamics and photocatalytic properties of GaP-ZnS solid solutions. Advanced Theory and Simulations, 2 (3). 1800146. ISSN 2513-0390 doi: 10.1002/adts.201800146

Mellan, T. A., Wang, H., Schwingenschlögl, U. and Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 (2019) Origin of the transition entropy in vanadium dioxide. Physical Review B, 99 (6). 064113. ISSN 1098-0121 doi: 10.1103/PhysRevB.99.064113

Arce-Molina, J., Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719, Lewis, D. W. and Ruiz-Salvador, A. R. (2018) Screening heteroatom distributions in zeotype materials using an effective Hamiltonian approach: the case of aluminogermanate PKU-9. Physical Chemistry Chemical Physics, 20 (26). pp. 18047-18055. ISSN 1463-9076 doi: 10.1039/C8CP01369A

Shaw, J. S., Vaiyapuri, R., Parker, M. P., Murray, C. A., Lim, K. J. C., Pan, C., Knappert, M., Cardin, C. J. ORCID: https://orcid.org/0000-0002-2556-9995, Greenland, B. W., Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 and Colquhoun, H. M. (2018) Elements of fractal geometry in the 1H NMR spectrum of a copolymer intercalation-complex: identification of the underlying Cantor set. Chemical Science, 9 (17). pp. 4052-4061. ISSN 1478-6524 doi: 10.1039/C8SC00830B

Ontaneda, J., Singh, A., Waghmare, U. V. and Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 (2018) Origin of the monolayer Raman signature in hexagonal boron nitride: a first-principles analysis. Journal of Physics Condensed Matter, 30 (18). 185701. ISSN 0953-8984 doi: 10.1088/1361-648X/aab883

Aziz, A. G., Mangelis, P., Vaqueiro, P. ORCID: https://orcid.org/0000-0001-7545-6262, Powell, A. and Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 (2016) Electron and phonon transport in shandite-structured Ni3Sn2S2. Physical Review B, 94 (16). pp. 2469-9950. ISSN 1098-0121 doi: 10.1103/PhysRevB.94.165131

Gutierrez-Sevillano, J. J., Calero, S., Hamad, S., Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719, Rey, F., Valencia, S., Palomino, M., Balestra, S. R. G. and Ruiz-Salvador, A. R. (2016) Critical role of dynamic flexibility in ge-containing zeolites: impact on diffusion. Chemistry - A European Journal, 22 (29). pp. 10036-10043. ISSN 0947-6539 doi: 10.1002/chem.201600983

Hamad, S., Hernandez, N. C., Aziz, A., Ruiz-Salvador, A. R., Calero, S. and Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 (2015) Electronic structure of porphyrin-based metal-organic frameworks and their suitability for solar fuel production photocatalysis. Journal of Materials Chemistry, 3 (46). pp. 23458-23465. ISSN 0959-9428 doi: 10.1039/C5TA06982C

Ontaneda, J., Bennett, R. ORCID: https://orcid.org/0000-0001-6266-3510 and Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 (2015) Electronic structure of Pd multi-layers on Re(0001): the role of charge transfer. Journal of Physical Chemistry C, 119 (41). pp. 23436-23444. ISSN 1932-7447 doi: 10.1021/acs.jpcc.5b06070

Mellan, T. A., Cora, F., Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 and Ismail-Beigi, S. (2015) The importance of anisotropic Coulomb interaction in LaMnO3. Physical Review B, 92 (8). 085151. ISSN 1098-0121 doi: 10.1103/PhysRevB.92.085151

Corps, J., Vaqueiro, P. ORCID: https://orcid.org/0000-0001-7545-6262, Aziz, A., Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719, Kockelmann, W., Jumas, J.-C. and Powell, A. V. (2015) The interplay of metal-atom ordering, Fermi leveltuning and thermoelectric properties in cobalt shandites Co3M2S2 (M = Sn, In). Chemistry of Materials, 27 (11). pp. 3946-3956. ISSN 0897-4756 doi: 10.1021/acs.chemmater.5b00801

Shirodkar, S. N., Waghmare, U. V., Fisher, T. S. and Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 (2015) Engineering the electronic bandgaps and band edge positions in carbon-substituted 2D boron nitride: a first-principles investigation. Physical Chemistry Chemical Physics, 17 (20). pp. 13547-13552. ISSN 1463-9076 doi: 10.1039/C5CP01680K

Tillotson, M., Brett, P., Bennett, R. A. ORCID: https://orcid.org/0000-0001-6266-3510 and Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 (2015) Adsorption of organic molecules at the TiO2(110) surface: the effect of van der Waals interactions. Surface Science, 632 (142). pp. 142-153. ISSN 0039-6028 doi: 10.1016/j.susc.2014.09.017

Gonzalez-Lopez, J., Ruiz-Hernandez, S. E., Fernandez-Gonzalez, Á., Jimenez, A., de Leeuw, N. H. and Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 (2014) Cobalt incorporation in calcite: Thermochemistry of (Ca,Co)CO3 solid solutions from density functional theory simulations. Geochimica Et Cosmochimica Acta, 142. pp. 205-216. ISSN 0016-7037 doi: 10.1016/j.gca.2014.07.026

Gonzalez-Lopez, J., Ruiz-Hernandez, S. E., Fernandez-Gonzalez, Á., Jimenez, A., de Leeuw, N. H. and Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 (2014) Cobalt incorporation in calcite: Thermochemistry of (Ca,Co)CO3 solid solutions from density functional theory simulations. Geochimica et Cosmochimica Acta, 142. pp. 205-216. ISSN 0016-7037 doi: 10.1016/j.gca.2014.07.026

Wang, H., Mellan, T. A., Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 and Schwingenschlögl, U. (2014) Spin polarization, orbital occupation and band gap opening in vanadium dioxide: the effect of screened Hartree–Fock exchange. Chemical Physics Letters, 608. pp. 126-129. ISSN 0009-2614 doi: 10.1016/j.cplett.2014.05.070

Wang, H., Mellan, T. A., Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 and Schwingenschlögl, U. (2014) Spin polarization, orbital occupation and band gap opening in vanadium dioxide: the effect of screened Hartree–Fock exchange. Chemical Physics Letters, 608. pp. 126-129. ISSN 0009-2614 doi: 10.1016/j.cplett.2014.05.070

Santos-Carballal, D., Roldan, A., Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 and de Leeuw, N. H. (2014) A DFT study of the structures, stabilities and redox behaviour of the major surfaces of magnetite Fe3O4. Physical Chemistry Chemical Physics, 16. 21082. ISSN 1463-9076 doi: 10.1039/c4cp00529e

Mellan, T. A., Maenetja, K. P., Ngoepe, P. E., Woodley, S. M., Catlow, C.R. A. and Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 (2013) Lithium and oxygen adsorption at the b-MnO2 (110) surface. Journal of Materials Chemistry, 1 (47). pp. 14879-14887. ISSN 0959-9428 doi: 10.1039/c3ta13559d

Azuma, K., Dover, C., Grinter, D. C., Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719, Almora-Barrios, N., Thornton, G., Oda, T. and Tanaka, S. (2013) Scanning tunneling microscopy and molecular dynamics study of the Li2TiO3(001) surface. Journal of Physical Chemistry C, 117 (10). pp. 5126-5131. ISSN 1932-7447 doi: 10.1021/jp3119549

Azuma, K., Dover, C., Grinter, D. C., Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719, Almora-Barrios, N., Thornton, G., Oda, T. and Tanaka, S. (2013) Scanning tunneling microscopy and molecular dynamics study of the Li2TiO3(001) surface. Journal of Physical Chemistry C, 117 (10). pp. 5126-5131. ISSN 1932-7447 doi: 10.1021/jp3119549

Ruiz-Salvadora, A.R., Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719, Gray, A. E. and Lewis, D. W. (2013) Aluminium distribution in ZSM-5 revisited: the role of Al-Al interactions. Journal of Solid State Chemistry, 198. pp. 330-336. ISSN 0022-4596 doi: 10.1016/j.jssc.2012.10.022

Mellan, T.A. and Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 (2012) Density functional theory study of rutile VO2 surfaces. The Journal of Chemical Physics, 137 (15). 154706. ISSN 0021-9606 doi: 10.1063/1.4758319

Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719, Wang, H. and Schwingenschlögl, U. (2012) Why the Heyd-Scuseria-Ernzerhof hybrid functional description of VO2 phases is not correct. Physical Review B, 86 (8). 081101(R). ISSN 1098-0121 doi: 10.1103/PhysRevB.86.081101

Haider, S., Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719, Devey, A. J. and de Leeuw, N. H. (2012) Cation distribution and mixing thermodynamics in Fe/Ni thiospinels. Geochimica et Cosmochimica Acta, 88. pp. 275-282. ISSN 0016-7037 doi: 10.1016/j.gca.2012.04.007

Ruiz-Hernandez, S. E., Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719, Almora-Barrios, N., Wolthers, M., Ruiz-Salvador, A. R., Fernandez, N. and de Leeuw, N. H. (2012) Mg/Ca partitioning between aqueous solution and aragonite mineral: a molecular dynamics study. Chemistry- A European Journal, 18 (32). pp. 9828-9833. ISSN 1521-3765 doi: 10.1002/chem.201200966

Ruiz-Hernandez, S. E., Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719, Almora-Barrios, N., Wolthers, M., Ruiz-Salvador, A. R., Fernandez, N. and de Leeuw, N. H. (2012) Mg/Ca partitioning between aqueous solution and aragonite mineral: a molecular dynamics study. Chemistry - A European Journal, 18 (32). pp. 9828-9833. ISSN 0947-6539 doi: 10.1002/chem.201200966

Seminovsk, Y., Palacio, P., Wahnon, P. and Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 (2012) Band gap control via tuning of inversion degree in CdIn2S4 spinel. Applied Physics Letters, 100. 102112. ISSN 0003-6951 doi: 10.1063/1.3692780

Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719, de Leeuw, N. H., Hamad, S. and Waghmare, U. V. (2011) Phase separation and surface segregation in ceria-zirconia solid solutions. Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, 467 (2131). pp. 1925-1938. ISSN 1364-5021 doi: 10.1098/rspa.2010.0512

Habgood, M., Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 and Price, S.L. (2011) Substitutional and orientational disorder in organic crystals: a symmetry-adapted ensemble model. Physical Chemistry Chemical Physics, 13 (20). pp. 9590-9600. ISSN 1463-9076 doi: 10.1039/c1cp20249a

Smith, K. C., Fisher, T. S., Waghmare, U. V. and Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 (2010) Dopant-vacancy binding effects in Li-doped magnesium hydride. Physical Review B, 82 (13). 134109. ISSN 1098-0121 doi: 10.1103/PhysRevB.82.134109

Smith, K. C., Fisher, T. S., Waghmare, U. V. and Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 (2010) Dopant-vacancy binding effects in Li-doped magnesium hydride. Physical Review B, 82 (13). 134109. ISSN 1098-0121 doi: 10.1103/PhysRevB.82.134109

Hernandez, N. C., Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719, de Leeuw, N. H. and Sanz, J. F. (2009) Electronic charge transfer between ceria surfaces and gold adatoms: a GGA+U investigation. Physical Chemistry Chemical Physics, 11 (26). pp. 5246-5252. ISSN 1463-9076 doi: 10.1039/b820373c

Hernandez, N. C., Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719, de Leeuw, N. H. and Sanz, J. F. (2009) Electronic charge transfer between ceria surfaces and gold adatoms: a GGA+U investigation. Physical Chemistry Chemical Physics, 11 (26). pp. 5246-5252. ISSN 1463-9076 doi: 10.1039/b820373c

Benny, S., Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 and de Leeuw, N. H. (2008) A theoretical investigation of a-Fe2O3–Cr2O3 solid solutions. Physical Chemistry Chemical Physics, 11 (5). pp. 808-815. ISSN 1463-9076 doi: 10.1039/b815907f

Benny, S., Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 and de Leeuw, N. H. (2008) A theoretical investigation of a-Fe2O3–Cr2O3 solid solutions. Physical Chemistry Chemical Physics, 11 (5). pp. 808-815. ISSN 1463-9076 doi: 10.1039/b815907f

Wilson, E. L., Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719, Pang, C. L., Cabailh, G., Chen, Q., Purton, J. A., Catlow, C. R. A., Brown, W. A., de Leeuw, N. H. and Thornton, G. (2008) Redox behavior of the model catalyst Pd/CeO2-x/Pt(111). Journal of Physical Chemistry C, 112 (29). pp. 10918-10922. ISSN 1932-7447 doi: 10.1021/jp8004103

Wilson, E. L., Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719, Pang, C. L., Cabailh, G., Chen, Q., Purton, J. A., Catlow, C. R. A., Brown, W. A., de Leeuw, N. H. and Thornton, G. (2008) Redox behavior of the model catalyst Pd/CeO2-x/Pt(111). Journal of Physical Chemistry C, 112 (29). pp. 10918-10922. ISSN 1932-7447 doi: 10.1021/jp8004103

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