Dr Claudio   Cazorla Silva
Honorary Senior Lecturer

Dr Claudio Cazorla Silva

Science
Sch of Materials Sci & Eng

Claudio Cazorla is an ARC Future Fellow/Senior Lecturer in the School of Materials Science and Engineering. His research expertise is built on the application and development of quantum computational techniques for the prediction and understanding of physical and chemical phenomena occurring in crystals, liquids, and surfaces.

Particularly, his work is related to the fields of Materials Science and Computational Condensed Matter Physics. There are several open Ph.D. positions in the area of Materials Modelling in Claudio Cazorla's research group: interested students please send a (i) detailed CV, (ii) copy of transcripts, (iii)  motivation letter, and (iv) at least one reference letter to c.cazorla@unsw.edu.au. For more information on this exciting research opportunity, visit: http://claudiocazorla.com/

Publications

  • Journal articles | 2021
    Dr Claudio Cazorla Silva
    MacHado P; Canõ I; Menéndez C; Cazorla C; Tan H; Fina I; Campoy-Quiles M; Escudero C; Tallarida M; Coll M, 2021, 'Enhancement of phase stability and optoelectronic performance of BiFeO3thin films: Via cation co-substitution', Journal of Materials Chemistry C, vol. 9, pp. 330 - 339, http://dx.doi.org/10.1039/d0tc04304d
    Journal articles | 2021
    Dr Claudio Cazorla Silva
    Maroufi S; Khayyam Nekouei R; S. Mofarah S; O'Mullane AP; Yao Y; Lim S; Cazorla C; Sahajwalla V, 2021, 'Transparent and Flexible Mn1−x−y(CexLay)O2−δ Ultrathin-Film Device for Highly-Stable Pseudocapacitance Application', Advanced Functional Materials, http://dx.doi.org/10.1002/adfm.202100880
    Journal articles | 2021
    Dr Claudio Cazorla Silva
    Xu Y; Mofarah SS; Mehmood R; Cazorla C; Koshy P; Sorrell CC, 2021, 'Design strategies for ceria nanomaterials: Untangling key mechanistic concepts', Materials Horizons, vol. 8, pp. 102 - 123, http://dx.doi.org/10.1039/d0mh00654h
    Journal articles | 2021
    Dr Claudio Cazorla Silva
    Zhang X; Fan J; Lu X; Han Z; Cazorla C; Hu L; Wu T; Chu D, 2021, 'Corrigendum to “Bridging NiCo layered double hydroxides and Ni3S2 for bifunctional electrocatalysts: The role of vertical graphene” [Chem. Eng. J. 415 (2021) 129048](S1385894721006392)(10.1016/j.cej.2021.129048)', Chemical Engineering Journal, vol. 418, pp. 129448 - 129448, http://dx.doi.org/10.1016/j.cej.2021.129448
    Journal articles | 2021
    Dr Claudio Cazorla Silva
    Zheng X; Mofarah SS; Cazorla C; Daiyan R; Esmailpour AA; Scott J; Yao Y; Lim S; Wong V; Chen EY; Arandiyan H; Koshy P; Sorrell CC, 2021, 'Decoupling the Impacts of Engineering Defects and Band Gap Alignment Mechanism on the Catalytic Performance of Holey 2D CeO2−x-Based Heterojunctions', Advanced Functional Materials, pp. 2103171 - 2103171, http://dx.doi.org/10.1002/adfm.202103171
    Journal articles | 2021
    Dr Claudio Cazorla Silva
    Travaglini L; Micolich AP; Cazorla C; Zeglio E; Lauto A; Mawad D, 2021, 'Single-Material OECT-Based Flexible Complementary Circuits Featuring Polyaniline in Both Conducting Channels', Advanced Functional Materials, vol. 31, pp. 2007205 - 2007205, http://dx.doi.org/10.1002/adfm.202007205
    Journal articles | 2021
    Dr Claudio Cazorla Silva
    Zhang X; Fan J; Lu X; Han Z; Cazorla C; Hu L; Wu T; Chu D, 2021, 'Bridging NiCo layered double hydroxides and Ni3S2 for bifunctional electrocatalysts: the role of vertical graphene', Chemical Engineering Journal, pp. 129048, http://dx.doi.org/10.1016/j.cej.2021.129048
    Journal articles | 2021
    Dr Claudio Cazorla Silva
    Nazrul Islam SMK; Mayank P; Ouyang Y; Chen J; Sagotra AK; Li M; Cortie MB; Mole R; Cazorla C; Yu D; Wang X; Robinson RA; Cortie DL, 2021, 'Copper diffusion rates and hopping pathways in superionic Cu2Se', Acta Materialia, vol. 215, http://dx.doi.org/10.1016/j.actamat.2021.117026
    Journal articles | 2021
    Dr Claudio Cazorla Silva
    Zhou Z; Chu D; Cazorla C, 2021, 'Ab initio description of oxygen vacancies in epitaxially strained $$\hbox {SrTiO}_{{3}}$$at finite temperatures', Scientific Reports, vol. 11, pp. 11499, http://dx.doi.org/10.1038/s41598-021-91018-4
    Journal articles | 2021
    Dr Claudio Cazorla Silva
    Miyazaki Y; Nakano M; Krivchikov AI; Koroyuk OA; Gebbia JF; Cazorla C; Tamarit JL, 2021, 'Low-Temperature Heat Capacity Anomalies in Ordered and Disordered Phases of Normal and Deuterated Thiophene', Journal of Physical Chemistry Letters, vol. 12, pp. 2112 - 2117, http://dx.doi.org/10.1021/acs.jpclett.1c00289
    Journal articles | 2021
    Dr Claudio Cazorla Silva
    Sau K; Ikeshoji T; Takagi S; Orimo S; Errandonea D; Chu D; Cazorla C, 2021, 'Colossal barocaloric effects in the complex hydride Li$$_{2}$$B$$_{12}$$H$$_{12}$$', Scientific Reports, vol. 11, pp. 11915, http://dx.doi.org/10.1038/s41598-021-91123-4
    Journal articles | 2021
    Dr Claudio Cazorla Silva
    Mofarah SS; Schreck L; Cazorla C; Zheng X; Adabifiroozjaei E; Tsounis C; Scott J; Shahmiri R; Yao Y; Abbasi R; Wang Y; Arandiyan H; Sheppard L; Wong V; Doustkhah E; Koshy P; Sorrell CC, 2021, 'Highly catalytically active CeO2-: X-based heterojunction nanostructures with mixed micro/meso-porous architectures', Nanoscale, vol. 13, pp. 6764 - 6771, http://dx.doi.org/10.1039/d0nr08097g
    Journal articles | 2021
    Dr Claudio Cazorla Silva
    Liu Z; Wang B; Cazorla C, 2021, 'Mechanical and electronic properties of CeO2 under uniaxial tensile loading: A DFT study', Materialia, vol. 15, http://dx.doi.org/10.1016/j.mtla.2021.101050
    Journal articles | 2020
    Dr Claudio Cazorla Silva
    Menéndez C; Cazorla C, 2020, 'Giant Thermal Enhancement of the Electric Polarization in Ferrimagnetic BiFe1-xCox O3 Solid Solutions near Room Temperature', Physical Review Letters, vol. 125, pp. 117601, http://dx.doi.org/10.1103/PHYSREVLETT.125.117601
    Journal articles | 2020
    Dr Claudio Cazorla Silva
    Menéndez C; Chu D; Cazorla C, 2020, 'Oxygen-vacancy induced magnetic phase transitions in multiferroic thin films', npj Computational Materials, vol. 6, pp. 76, http://dx.doi.org/10.1038/s41524-020-0344-3
    Journal articles | 2020
    Dr Claudio Cazorla Silva
    Liu Z; Menéndez C; Shenoy J; Hart JN; Sorrell CC; Cazorla C, 2020, 'Strain engineering of oxide thin films for photocatalytic applications', Nano Energy, vol. 72, http://dx.doi.org/10.1016/j.nanoen.2020.104732
    Journal articles | 2020
    Dr Claudio Cazorla Silva
    Bahmanrokh G; Cazorla C; Mofarah SS; Shahmiri R; Yao Y; Ismail I; Chen WF; Koshy P; Sorrell CC, 2020, 'Band gap engineering of Ce-doped anatase TiO2 through solid solubility mechanisms and new defect equilibria formalism', Nanoscale, vol. 12, pp. 4916 - 4934, http://dx.doi.org/10.1039/c9nr08604h
    Journal articles | 2020
    Dr Claudio Cazorla Silva
    Min J; Sagotra AK; Cazorla C, 2020, 'Large barocaloric effects in thermoelectric superionic materials', Physical Review Materials, vol. 4, http://dx.doi.org/10.1103/PhysRevMaterials.4.015403
    Journal articles | 2020
    Dr Claudio Cazorla Silva
    WAN T; Guan P; Guan X; Hu L; Wu T; Cazorla C; Chu D, 2020, 'Facile Patterning of Silver Nanowires with Controlled Polarities via Inkjet-Assisted Manipulation of Interface Adhesion', ACS Applied Materials & Interfaces, http://dx.doi.org/10.1021/acsami.0c07950
    Journal articles | 2020
    Dr Claudio Cazorla Silva
    Shirsath SE; Cazorla C; Lu T; Zhang L; Tay YY; Lou X; Liu Y; Li S; Wang D, 2020, 'Interface-Charge Induced Giant Electrocaloric Effect in Lead Free Ferroelectric Thin-Film Bilayers', Nano Letters, vol. 20, pp. 1262 - 1271, http://dx.doi.org/10.1021/acs.nanolett.9b04727
    Journal articles | 2020
    Dr Claudio Cazorla Silva
    Shahrokhi S; Gao W; Wang Y; Anandan PR; Rahaman MZ; Singh S; Wang D; Cazorla C; Yuan G; Liu JM; Wu T, 2020, 'Emergence of Ferroelectricity in Halide Perovskites', Small Methods, vol. 4, http://dx.doi.org/10.1002/smtd.202000149
    Journal articles | 2020
    Dr Claudio Cazorla Silva
    Haque E; Cazorla C; Anwar Hossain M, 2020, 'First-principles prediction of large thermoelectric efficiency in superionic Li2SnX3 (X = S, Se)', Physical Chemistry Chemical Physics, vol. 22, pp. 878 - 889, http://dx.doi.org/10.1039/c9cp05939c
    Journal articles | 2020
    Dr Claudio Cazorla Silva
    Anzellini S; Errandonea D; Cazorla C; MacLeod S; Monteseguro V; Boccato S; Bandiello E; Anichtchenko DD; Popescu C; Beavers CM, 2020, 'Author Correction: Thermal equation of state of ruthenium characterized by resistively heated diamond anvil cell (Scientific Reports, (2019), 9, 1, (14459), 10.1038/s41598-019-51037-8)', Scientific Reports, vol. 10, http://dx.doi.org/10.1038/s41598-020-63865-0
    Journal articles | 2020
    Dr Claudio Cazorla Silva
    Wang H; Zhang L; Sun Y; Cazorla C; Guo M; Li Y; Lam KH; Lou X; Wang D, 2020, 'The primary and secondary electrocaloric effect at ferroelectric-ferroelectric transitions in lead-free ceramics', Scripta Materialia, vol. 178, pp. 150 - 154, http://dx.doi.org/10.1016/j.scriptamat.2019.11.014
    Journal articles | 2020
    Dr Claudio Cazorla Silva
    Pan Y; Wu Y; Hsain HA; Su R; Cazorla C; Chu D, 2020, 'Synergetic Modulating the Electronic Structure and Hydrophilicity of Nickel-Iron Hydroxide for Efficient Oxygen Evolution by UV/Ozone Treatment', Journal of Materials Chemistry A, http://dx.doi.org/10.1039/D0TA03470C
    Journal articles | 2020
    Dr Claudio Cazorla Silva
    Ren L; Wang Y; Wang M; Wang S; Zhao Y; Cazorla C; Chen C; Wu T; Jin K, 2020, 'Tuning Magnetism and Photocurrent in Mn-Doped Organic-Inorganic Perovskites', Journal of Physical Chemistry Letters, vol. 11, pp. 2577 - 2584, http://dx.doi.org/10.1021/acs.jpclett.0c00034
    Journal articles | 2020
    Dr Claudio Cazorla Silva
    Luo X; Rawal A; Cazorla C; Aguey-Zinsou KF, 2020, 'Facile Self-Forming Superionic Conductors Based on Complex Borohydride Surface Oxidation', Advanced Sustainable Systems, vol. 4, http://dx.doi.org/10.1002/adsu.201900113
    Journal articles | 2020
    Dr Claudio Cazorla Silva
    Sapkota P; Boyer C; Dutta R; Cazorla C; Aguey-Zinsou KF, 2020, 'Planar polymer electrolyte membrane fuel cells: Powering portable devices from hydrogen', Sustainable Energy and Fuels, vol. 4, pp. 439 - 468, http://dx.doi.org/10.1039/c9se00861f
    Journal articles | 2020
    Dr Claudio Cazorla Silva
    Polek A; Cazorla C; Kundu D, 2020, 'Nature of Alkali Ion Conduction and Reversible Na-Ion Storage in Hybrid Formate Framework Materials', Journal of Physical Chemistry C, vol. 124, pp. 26714 - 26721, http://dx.doi.org/10.1021/acs.jpcc.0c09783
    Journal articles | 2019
    Dr Claudio Cazorla Silva
    Zhang X; Marianov A; Jiang Y; Cazorla C; Chu D, 2019, 'Hierarchically Constructed Silver Nanowire@Nickel-Iron Layered Double Hydroxide Nanostructures for Electrocatalytic Water Splitting', ACS Applied Nano Materials, http://dx.doi.org/10.1021/acsanm.9b02457
    Journal articles | 2019
    Dr Claudio Cazorla Silva
    Cazorla C, 2019, 'Novel mechanocaloric materials for solid-state cooling applications', Applied Physics Reviews, vol. 6, http://dx.doi.org/10.1063/1.5113620
    Journal articles | 2019
    Dr Claudio Cazorla Silva
    Mohanty HS; Dam T; Borkar H; Pradhan DK; Mishra KK; Kumar A; Sahoo B; Kulriya PK; Cazorla C; Scott JF; Pradhan DK, 2019, 'Structural transformations and physical properties of (1 - X) Na 0.5 Bi 0.5 TiO 3 - X BaTiO 3 solid solutions near a morphotropic phase boundary', Journal of Physics Condensed Matter, vol. 31, pp. 075401, http://dx.doi.org/10.1088/1361-648X/aaf405
    Journal articles | 2019
    Dr Claudio Cazorla Silva
    Sagotra AK; Chu D; Cazorla C, 2019, 'Influence of lattice dynamics on lithium-ion conductivity: A first-principles study', PRMATERIALS, vol. 3, pp. 035405, http://dx.doi.org/10.1103/PhysRevMaterials.3.035405
    Journal articles | 2019
    Dr Claudio Cazorla Silva
    Kong S; Kumar N; Checchia S; Cazorla C; Daniels J, 2019, 'Defect-Driven Structural Distortions at the Surface of Relaxor Ferroelectrics', Advanced Functional Materials, vol. 29, http://dx.doi.org/10.1002/adfm.201900344
    Journal articles | 2019
    Dr Claudio Cazorla Silva
    Lai Q; Sun Y; Wang T; Modi P; Cazorla C; Demirci UB; Ares Fernandez JR; Leardini F; Aguey-Zinsou KF, 2019, 'How to Design Hydrogen Storage Materials? Fundamentals, Synthesis, and Storage Tanks', Advanced Sustainable Systems, vol. 3, http://dx.doi.org/10.1002/adsu.201900043
    Journal articles | 2019
    Dr Claudio Cazorla Silva
    Mofarah SS; Adabifiroozjaei E; Pardehkhorram R; Assadi MHN; Hinterstein M; Yao Y; Liu X; Ghasemian MB; Kalantar‐Zadeh K; Mehmood R; Cazorla C; Shahmiri R; Bahmanrokh G; Bhattacharyya S; Spadaro MC; Arbiol J; Lim S; Xu Y; Arandiyan H; Scott J; Koshy P; Sorrell CC, 2019, '2D Materials: Coordination Polymer to Atomically Thin, Holey, Metal‐Oxide Nanosheets for Tuning Band Alignment (Adv. Mater. 52/2019)', Advanced Materials, vol. 31, pp. 1970370 - 1970370, http://dx.doi.org/10.1002/adma.201970370
    Journal articles | 2019
    Dr Claudio Cazorla Silva
    Mofarah SS; Adabifiroozjaei E; Pardehkhorram R; Assadi MHN; Hinterstein M; Yao Y; Liu X; Ghasemian MB; Kalantar-Zadeh K; Mehmood R; Cazorla C; Shahmiri R; Bahmanrokh G; Bhattacharyya S; Spadaro MC; Arbiol J; Lim S; Xu Y; Arandiyan H; Scott J; Koshy P; Sorrell CC, 2019, 'Coordination Polymer to Atomically Thin, Holey, Metal-Oxide Nanosheets for Tuning Band Alignment', Advanced Materials, vol. 31, pp. 1905288 - 1905288, http://dx.doi.org/10.1002/adma.201905288
    Journal articles | 2019
    Dr Claudio Cazorla Silva
    S. Mofarah S; Adabifiroozjaei E; Yao Y; Koshy P; Lim S; Webster R; Liu X; Khayyam Nekouei R; Cazorla C; Liu Z; Wang Y; Lambropoulos N; Sorrell CC, 2019, 'Proton-assisted creation of controllable volumetric oxygen vacancies in ultrathin CeO2−x for pseudocapacitive energy storage applications', Nature Communications, vol. 10, http://dx.doi.org/10.1038/s41467-019-10621-2
    Journal articles | 2019
    Dr Claudio Cazorla Silva
    Sattar MA; Ahmad SA; Hussain F; Cazorla C, 2019, 'First-principles prediction of magnetically ordered half-metals above room temperature', Journal of Materiomics, vol. 5, pp. 404 - 412, http://dx.doi.org/10.1016/j.jmat.2019.04.003
    Journal articles | 2019
    Dr Claudio Cazorla Silva
    Anzellini S; Errandonea D; Cazorla C; MacLeod S; Monteseguro V; Boccato S; Bandiello E; Anichtchenko DD; Popescu C; Beavers CM, 2019, 'Thermal equation of state of ruthenium characterized by resistively heated diamond anvil cell', Scientific Reports, vol. 9, pp. 14459, http://dx.doi.org/10.1038/s41598-019-51037-8
    Journal articles | 2019
    Dr Claudio Cazorla Silva
    Ruiz-Fuertes J; Ibáñez J; Monteseguro V; Alencar I; Cazorla C, 2019, 'Reversible Tuning of Ca Nanoparticles Embedded in a Superionic CaF2 Matrix', Journal of Physical Chemistry C, vol. 123, pp. 19945 - 19951, http://dx.doi.org/10.1021/acs.jpcc.9b04791
    Journal articles | 2019
    Dr Claudio Cazorla Silva
    Cazorla Silva C, 2019, 'Refrigeration based on plastic crystals', Nature, vol. 567, pp. 470 - 471, http://dx.doi.org/10.1038/d41586-019-00974-5
    Journal articles | 2019
    Dr Claudio Cazorla Silva
    Shenoy J; Hart JN; Grau-Crespo R; Allan NL; Cazorla C, 2019, 'Mixing Thermodynamics and Photocatalytic Properties of GaP–ZnS solid solutions', Advanced Theory and Simulations, vol. 2, http://dx.doi.org/10.1002/adts.201800146
    Journal articles | 2019
    Dr Claudio Cazorla Silva
    Cazorla C; Gould T, 2019, 'Polymorphism of bulk boron nitride', Science Advances, vol. 5, http://dx.doi.org/10.1126/sciadv.aau5832
    Journal articles | 2019
    Dr Claudio Cazorla Silva
    Cazorla C; Ganduglia-Pirovano MV; Carrasco J, 2019, 'Editorial: The Role of Non-stoichiometry in the Functional Properties of Oxide Materials', Frontiers in Chemistry, vol. 7, http://dx.doi.org/10.3389/fchem.2019.00547
    Journal articles | 2018
    Dr Claudio Cazorla Silva
    Cazorla Silva C; S. Rahman ; C. Menendez ; D. Errandonea ; L. Wang , 2018, 'Pressure-induced structural and semiconductor-semiconductor transitions in Co0.5Mg0.5Cr2O4', Physical review B: Condensed matter and materials physics, vol. 97, pp. 174102 - 174102, http://dx.doi.org/10.1103/PhysRevB.97.174102
    Journal articles | 2018
    Dr Claudio Cazorla Silva
    Sagotra AK; Chu D; Cazorla C, 2018, 'Room-temperature mechanocaloric effects in lithium-based superionic materials', Nature Communications, vol. 9, pp. 3337, http://dx.doi.org/10.1038/s41467-018-05835-9
    Journal articles | 2018
    Dr Claudio Cazorla Silva
    Hu S; Cazorla C; Xiang F; Ma H; Wang J; Wang J; Wang X; Ulrich C; Chen L; Seidel J, 2018, 'Strain control of giant magnetic anisotropy in metallic perovskite SrCoO3-δ thin films', ACS Applied Materials and Interfaces, vol. 10, pp. 22348 - 22355, http://dx.doi.org/10.1021/acsami.8b03553
    Journal articles | 2018
    Dr Claudio Cazorla Silva
    Xu Z; Younis A; Cazorla C; Yi J; Chu D; Li S, 2018, 'Engineering cationic defects in transparent tin oxide superlattices', Materials & Design, vol. 155, pp. 71 - 76, http://dx.doi.org/10.1016/j.matdes.2018.05.061
    Journal articles | 2018
    Dr Claudio Cazorla Silva
    Wan T; Qu B; Du H; Lin X; Lin Q; Wang D; Cazorla C; Li S; Liu S; Chu D, 2018, 'Digital to analog resistive switching transition induced by graphene buffer layer in strontium titanate based devices', Journal of Colloid and Interface Science, vol. 512, pp. 767 - 774, http://dx.doi.org/10.1016/j.jcis.2017.10.113
    Journal articles | 2018
    Dr Claudio Cazorla Silva
    Cazorla Silva C; Errandonea D; Sagotra AK, 2018, 'High-Pressure Phase Diagram and Superionicity of Alkaline Earth Metal Difluorides', Journal of Physical Chemistry C, vol. 122, pp. 1267 - 1278, http://dx.doi.org/10.1021/acs.jpcc.7b10975
    Journal articles | 2018
    Dr Claudio Cazorla Silva
    Cazorla Silva C; Daniel E, 2018, 'Comment on “High-pressure phases of group-II difluorides: Polymorphism and superionicity”', Physical review B: Condensed matter and materials physics, vol. 98, pp. 186101 - 186101, http://dx.doi.org/10.1103/PhysRevB.98.186101
    Journal articles | 2018
    Dr Claudio Cazorla Silva
    Cazorla Silva C; Jorge I, 2018, 'Giant direct and inverse electrocaloric effects in multiferroic thin films', Physical review B: Condensed matter and materials physics, vol. 98, pp. 174105 - 174105, http://dx.doi.org/10.1103/PhysRevB.98.174105
    Journal articles | 2018
    Dr Claudio Cazorla Silva
    Cazorla Silva C; Sempere S; Boronat J; Serra A, 2018, 'Dislocation Structure and Mobility in Hcp Rare-Gas Solids: Quantum versus Classical', Crystals, vol. 8, pp. 64 - 64, http://dx.doi.org/10.3390/cryst8020064
    Journal articles | 2018
    Dr Claudio Cazorla Silva
    Lai Q; Rawal A; Quadir MZ; Cazorla C; Demirci UB; Aguey-Zinsou K-F, 2018, 'Hydrogen Storage Materials: Nanosizing Ammonia Borane with Nickel: A Path toward the Direct Hydrogen Release and Uptake of BNH Systems (Adv. Sustainable Syst. 4/2018)', Advanced Sustainable Systems, vol. 2, pp. 1870028 - 1870028, http://dx.doi.org/10.1002/adsu.201870028
    Journal articles | 2017
    Dr Claudio Cazorla Silva
    Cazorla Silva C; A. Aznar, ; P. Lloveras ; M. Romanini ; M. Barrio ; J. Ll. Tamarit ; D. Errandonea ; N. D. Mathur ; A. Planes ; X. Moya ; Ll. Manosa , 2017, 'Giant barocaloric effects over a wide temperature range in superionic conductor AgI', Nature Communications, vol. 8, pp. 1851 - 1851, http://dx.doi.org/10.1038/s41467-017-01898-2
    Journal articles | 2017
    Dr Claudio Cazorla Silva
    Sagotra AK; Cazorla C, 2017, 'Stress-Mediated Enhancement of Ionic Conductivity in Fast-Ion Conductors', ACS Applied Materials and Interfaces, vol. 9, pp. 38773 - 38783, http://dx.doi.org/10.1021/acsami.7b11687
    Journal articles | 2017
    Dr Claudio Cazorla Silva
    Sagotra AK; Errandonea D; Cazorla C, 2017, 'Mechanocaloric effects in superionic thin films from atomistic simulations', Nature Communications, vol. 8, http://dx.doi.org/10.1038/s41467-017-01081-7
    Journal articles | 2017
    Dr Claudio Cazorla Silva
    Cazorla C; Boronat J, 2017, 'Simulation and understanding of atomic and molecular quantum crystals', Reviews of Modern Physics, vol. 89, http://dx.doi.org/10.1103/RevModPhys.89.035003
    Journal articles | 2017
    Dr Claudio Cazorla Silva
    Cazorla C, 2017, 'Lattice Effects on the Formation of Oxygen Vacancies in Perovskite Thin Films', Physical Review Applied, vol. 7, http://dx.doi.org/10.1103/PhysRevApplied.7.044025
    Journal articles | 2017
    Dr Claudio Cazorla Silva
    Cazorla C; Diéguez O; Íñiguez J, 2017, 'Multiple structural transitions driven by spin-phonon couplings in a perovskite oxide', Science Advances, vol. 3, http://dx.doi.org/10.1126/sciadv.1700288
    Journal articles | 2017
    Dr Claudio Cazorla Silva
    Heo Y; Hu S; Sharma P; Kim KE; Jang BK; Cazorla C; Yang CH; Seidel J, 2017, 'Impact of Isovalent and Aliovalent Doping on Mechanical Properties of Mixed Phase BiFeO3', ACS Nano, vol. 11, pp. 2805 - 2813, http://dx.doi.org/10.1021/acsnano.6b07869
    Journal articles | 2017
    Dr Claudio Cazorla Silva
    Cazorla Silva C; Benjamin Wolba ; Jan Seidel ; Christian Godau ; Alexander Haußmann ; Lukas M. Eng , 2017, 'Resistor Network Modeling of Conductive Domain Walls in Lithium Niobate', Advanced Electronic Materials, vol. 4, pp. 1700242 - 1700242, http://dx.doi.org/10.1002/aelm.201700242
    Journal articles | 2017
    Dr Claudio Cazorla Silva
    Hu S; Wang Y; Cazorla C; Seidel J, 2017, 'Strain-Enhanced Oxygen Dynamics and Redox Reversibility in Topotactic SrCoO3-δ (0 < δ ≤ 0.5)', Chemistry of Materials, vol. 29, pp. 708 - 717, http://dx.doi.org/10.1021/acs.chemmater.6b04360
    Journal articles | 2017
    Dr Claudio Cazorla Silva
    Cazorla Silva C; Lai Q; Rawal A; Quadir MZ; Demirci UB; Aguey-Zinsou K, 2017, 'Nanosizing Ammonia Borane with Nickel: A Path toward the Direct Hydrogen Release and Uptake of B-N-H Systems', Advanced Sustainable Systems, vol. 1, pp. 1700122 - 1700122, http://dx.doi.org/10.1002/adsu.201700122
    Journal articles | 2016
    Dr Claudio Cazorla Silva
    Cazorla Silva C; Magleod SG; Errandonea D; Munro KA; McMahon MI; Popescu C, 2016, 'Thallium under extreme compression', Journal of Physics: Condensed Matter, vol. 28, pp. 445401 - 445401, http://dx.doi.org/10.1088/0953-8984/28/44/445401
    Journal articles | 2016
    Dr Claudio Cazorla Silva
    Rivero P; Cazorla C, 2016, 'Revisiting the zero-temperature phase diagram of stoichiometric SrCoO 3 with first-principles methods', Phys. Chem. Chem. Phys., vol. 18, pp. 30686 - 30695, http://dx.doi.org/10.1039/C6CP06191E
    Journal articles | 2016
    Dr Claudio Cazorla Silva
    Cazorla C; Errandonea D, 2016, 'Giant Mechanocaloric Effects in Fluorite-Structured Superionic Materials', Nano Letters, vol. 16, pp. 3124 - 3129, http://dx.doi.org/10.1021/acs.nanolett.6b00422
    Journal articles | 2016
    Dr Claudio Cazorla Silva
    Acosta M; Schmitt LA; Cazorla C; Studer A; Zintler A; Glaum J; Kleebe HJ; Donner W; Hoffman M; Rödel J; Hinterstein M, 2016, 'Piezoelectricity and rotostriction through polar and non-polar coupled instabilities in bismuth-based piezoceramics', Scientific Reports, vol. 6, http://dx.doi.org/10.1038/srep28742
    Journal articles | 2016
    Dr Claudio Cazorla Silva
    Cazorla C, 2016, 'Electrostatic tuning of oxygen octahedral rotations in ferroelectric perovskites', Results in Physics, vol. 6, pp. 534 - 535, http://dx.doi.org/10.1016/j.rinp.2016.08.004
    Journal articles | 2016
    Dr Claudio Cazorla Silva
    Cazorla C; MacLeod SG; Errandonea D; Munro KA; McMahon MI; Popescu C, 2016, 'Thallium under extreme compression', JOURNAL OF PHYSICS-CONDENSED MATTER, vol. 28, http://dx.doi.org/10.1088/0953-8984/28/44/445401
    Journal articles | 2015
    Dr Claudio Cazorla Silva
    Cazorla C; Boronat J, 2015, 'First-principles modeling of three-body interactions in highly compressed solid helium', Physical Review B - Condensed Matter and Materials Physics, vol. 92, http://dx.doi.org/10.1103/PhysRevB.92.224113
    Journal articles | 2015
    Dr Claudio Cazorla Silva
    Cazorla C, 2015, 'In the search of new electrocaloric materials: Fast ion conductors', Results in Physics, vol. 5, pp. 262 - 263, http://dx.doi.org/10.1016/j.rinp.2015.09.006
    Journal articles | 2015
    Dr Claudio Cazorla Silva
    Cazorla C, 2015, 'The role of density functional theory methods in the prediction of nanostructured gas-adsorbent materials', Coordination Chemistry Reviews, vol. 300, pp. 142 - 163, http://dx.doi.org/10.1016/j.ccr.2015.05.002
    Journal articles | 2015
    Dr Claudio Cazorla Silva
    Cazorla C; Stengel M, 2015, 'Electrostatic engineering of strained ferroelectric perovskites from first principles', Physical Review B - Condensed Matter and Materials Physics, vol. 92, http://dx.doi.org/10.1103/PhysRevB.92.214108
    Journal articles | 2015
    Dr Claudio Cazorla Silva
    Cazorla C; Boronat J, 2015, 'First-principles modeling of quantum nuclear effects and atomic interactions in solid ⁴Ηe at high pressure', Physical Review B, vol. 91, pp. 024103-1 - 024103-9, http://dx.doi.org/10.1103/PhysRevB.91.024103
    Journal articles | 2014
    Dr Claudio Cazorla Silva
    Cazorla C; Errandonea D, 2014, 'Superionicity and polymorphism in calcium fluoride at high pressure', Physical Review Letters, vol. 113, http://dx.doi.org/10.1103/PhysRevLett.113.235902
    Journal articles | 2014
    Dr Claudio Cazorla Silva
    Lutsyshyn Y; Astrakharchik GE; Cazorla C; Boronat J, 2014, 'Quantum phase transition with a simple variational ansatz', Physical Review B - Condensed Matter and Materials Physics, vol. 90, http://dx.doi.org/10.1103/PhysRevB.90.214512
    Journal articles | 2014
    Dr Claudio Cazorla Silva
    Cazorla C; Stengel M, 2014, 'Ab initio design of charge-mismatched ferroelectric superlattices', Physical Review B - Condensed Matter and Materials Physics, vol. 90, http://dx.doi.org/10.1103/PhysRevB.90.020101
    Journal articles | 2014
    Dr Claudio Cazorla Silva
    Cazorla C; Boronat J, 2014, 'The Limit of Mechanical Stability in Quantum Crystals: A Diffusion Monte Carlo Study of Solid 4He', Journal of Low Temperature Physics, vol. 180, pp. 20 - 28, http://dx.doi.org/10.1007/s10909-014-1238-x
    Journal articles | 2013
    Dr Claudio Cazorla Silva
    Cazorla C; Lutsyshyn Y; Boronat J, 2013, 'Elastic constants of incommensurate solid 4He from diffusion Monte Carlo simulations', Physical Review B - Condensed Matter and Materials Physics, vol. 87, http://dx.doi.org/10.1103/PhysRevB.87.214522
    Journal articles | 2013
    Dr Claudio Cazorla Silva
    Cazorla C; Íñiguez J, 2013, 'Insights into the phase diagram of bismuth ferrite from quasiharmonic free-energy calculations', Physical Review B - Condensed Matter and Materials Physics, vol. 88, http://dx.doi.org/10.1103/PhysRevB.88.214430
    Journal articles | 2013
    Dr Claudio Cazorla Silva
    Cazorla C; Boronat J, 2013, 'Possible superfluidity of molecular hydrogen in a two-dimensional crystal phase of sodium', Physical Review B - Condensed Matter and Materials Physics, vol. 88, http://dx.doi.org/10.1103/PhysRevB.88.224501
    Journal articles | 2013
    Dr Claudio Cazorla Silva
    Cazorla C; Errandonea D, 2013, 'High-pressure, high-temperature phase diagram of calcium fluoride from classical atomistic simulations', Journal of Physical Chemistry C, vol. 117, pp. 11292 - 11301, http://dx.doi.org/10.1021/jp401577j
    Journal articles | 2013
    Dr Claudio Cazorla Silva
    Carbonell-Coronado C; De Soto F; Cazorla C; Boronat J; Gordillo MC, 2013, 'H2 physisorbed on graphane', Journal of Low Temperature Physics, vol. 171, pp. 619 - 625, http://dx.doi.org/10.1007/s10909-012-0828-8
    Journal articles | 2013
    Dr Claudio Cazorla Silva
    Carbonell-Coronado C; De Soto F; Cazorla C; Boronat J; Gordillo MC, 2013, 'Zero-temperature phase diagram of D2 physisorbed on graphane', Journal of Physics Condensed Matter, vol. 25, http://dx.doi.org/10.1088/0953-8984/25/44/445011
    Journal articles | 2013
    Dr Claudio Cazorla Silva
    Cazorla C; Shevlin SA, 2013, 'Accuracy of density functional theory in the prediction of carbon dioxide adsorbent materials', Dalton Transactions, vol. 42, pp. 4670 - 4676, http://dx.doi.org/10.1039/c3dt32713b
    Journal articles | 2012
    Dr Claudio Cazorla Silva
    Cazorla C; Lutsyshyn Y; Boronat J, 2012, 'Elastic constants of solid 4He under pressure: Diffusion Monte Carlo study', Physical Review B - Condensed Matter and Materials Physics, vol. 85, http://dx.doi.org/10.1103/PhysRevB.85.024101
    Journal articles | 2012
    Dr Claudio Cazorla Silva
    Cazorla C; Stengel M, 2012, 'First-principles modeling of Pt/LaAlO 3/SrTiO 3 capacitors under an external bias potential', Physical Review B - Condensed Matter and Materials Physics, vol. 85, http://dx.doi.org/10.1103/PhysRevB.85.075426
    Journal articles | 2012
    Dr Claudio Cazorla Silva
    Cazorla C; Rojas-Cervellera V; Rovira C, 2012, 'Calcium-based functionalization of carbon nanostructures for peptide immobilization in aqueous media', Journal of Materials Chemistry, vol. 22, pp. 19684 - 19693, http://dx.doi.org/10.1039/c2jm33811d
    Journal articles | 2012
    Dr Claudio Cazorla Silva
    Shevlin SA; Cazorla C; Guo ZX, 2012, 'Structure and defect chemistry of low- and high-temperature phases of LiBH 4', Journal of Physical Chemistry C, vol. 116, pp. 13488 - 13496, http://dx.doi.org/10.1021/jp3014805
    Journal articles | 2012
    Dr Claudio Cazorla Silva
    Cazorla C; Alfè D; Gillan MJ, 2012, 'Constraints on the phase diagram of molybdenum from first-principles free-energy calculations', Physical Review B - Condensed Matter and Materials Physics, vol. 85, http://dx.doi.org/10.1103/PhysRevB.85.064113
    Journal articles | 2012
    Dr Claudio Cazorla Silva
    Rota R; Lutsyshyn Y; Cazorla C; Boronat J, 2012, 'A microscopic description of vacancies in solid 4He', Journal of Low Temperature Physics, vol. 168, pp. 150 - 161, http://dx.doi.org/10.1007/s10909-012-0616-5
    Journal articles | 2011
    Dr Claudio Cazorla Silva
    Alfè D; Cazorla C; Gillan MJ, 2011, 'The kinetics of homogeneous melting beyond the limit of superheating', Journal of Chemical Physics, vol. 135, http://dx.doi.org/10.1063/1.3605601
    Journal articles | 2011
    Dr Claudio Cazorla Silva
    Cazorla C; Shevlin SA; Guo ZX, 2011, 'Calcium-based functionalization of carbon materials for CO2 capture: A first-principles computational study', Journal of Physical Chemistry C, vol. 115, pp. 10990 - 10995, http://dx.doi.org/10.1021/jp201786h
    Journal articles | 2011
    Dr Claudio Cazorla Silva
    Gordillo MC; Cazorla C; Boronat J, 2011, 'Supersolidity in quantum films adsorbed on graphene and graphite', Physical Review B - Condensed Matter and Materials Physics, vol. 83, http://dx.doi.org/10.1103/PhysRevB.83.121406
    Journal articles | 2011
    Dr Claudio Cazorla Silva
    Cazorla C; Alfè D; Gillan MJ, 2011, 'A simple tight-binding model for the study of 4d transition metals under pressure', Computational Materials Science, vol. 50, pp. 2732 - 2735, http://dx.doi.org/10.1016/j.commatsci.2011.04.030
    Journal articles | 2010
    Dr Claudio Cazorla Silva
    Cazorla C; Astrakharchik GE; Casulleras J; Boronat J, 2010, 'Ground-state properties and superfluidity of two-and quasi-two-dimensional solid4He', Journal of Physics Condensed Matter, vol. 22, http://dx.doi.org/10.1088/0953-8984/22/16/165402
    Journal articles | 2010
    Dr Claudio Cazorla Silva
    Lutsyshyn Y; Cazorla C; Boronat J, 2010, 'Instability of vacancy clusters in solid 4He', Journal of Low Temperature Physics, vol. 158, pp. 608 - 614, http://dx.doi.org/10.1007/s10909-009-0004-y
    Journal articles | 2010
    Dr Claudio Cazorla Silva
    Cazorla C; Errandonea D, 2010, 'Ab initio study of compressed Ar(H2(2: Structural stability and anomalous melting', Physical Review B - Condensed Matter and Materials Physics, vol. 81, http://dx.doi.org/10.1103/PhysRevB.81.104108
    Journal articles | 2010
    Dr Claudio Cazorla Silva
    Lutsyshyn Y; Cazorla C; Astrakharchik GE; Boronat J, 2010, 'Properties of vacancy formation in hcp 4He crystals at zero temperature and fixed pressure', Physical Review B - Condensed Matter and Materials Physics, vol. 82, http://dx.doi.org/10.1103/PhysRevB.82.180506
    Journal articles | 2010
    Dr Claudio Cazorla Silva
    Cazorla C; Shevlin SA; Guo ZX, 2010, 'First-principles study of the stability of calcium-decorated carbon nanostructures', Physical Review B - Condensed Matter and Materials Physics, vol. 82, http://dx.doi.org/10.1103/PhysRevB.82.155454
    Journal articles | 2010
    Dr Claudio Cazorla Silva
    Cazorla C, 2010, 'Ab initio study of the binding of collagen amino acids to graphene and A-doped (A = H, Ca) graphene', Thin Solid Films, vol. 518, pp. 6951 - 6961, http://dx.doi.org/10.1016/j.tsf.2010.06.068
    Journal articles | 2009
    Dr Claudio Cazorla Silva
    Cazorla C; Errandonea D; Sola E, 2009, 'High-pressure phases, vibrational properties, and electronic structure of Ne (He) 2 and Ar (He) 2: A first-principles study', Physical Review B - Condensed Matter and Materials Physics, vol. 80, http://dx.doi.org/10.1103/PhysRevB.80.064105
    Journal articles | 2009
    Dr Claudio Cazorla Silva
    Cazorla C; Astrakharchik GE; Casulleras J; Boronat J, 2009, 'Bose-Einstein quantum statistics and the ground state of solid 4He', New Journal of Physics, vol. 11, http://dx.doi.org/10.1088/1367-2630/11/1/013047
    Journal articles | 2009
    Dr Claudio Cazorla Silva
    Cazorla C; Alf̀ D; Gillan MJ, 2009, 'Melting properties of a simple tight-binding model of transition metals. I. the region of half-filled d -band', Journal of Chemical Physics, vol. 130, http://dx.doi.org/10.1063/1.3126683
    Journal articles | 2008
    Dr Claudio Cazorla Silva
    Cazorla C; Alfè D; Gillan MJ, 2008, 'Zero-temperature generalized phase diagram of the 4d transition metals under pressure', Physical Review B - Condensed Matter and Materials Physics, vol. 77, http://dx.doi.org/10.1103/PhysRevB.77.224103
    Journal articles | 2008
    Dr Claudio Cazorla Silva
    Cazorla C; Boronat J, 2008, 'Zero-temperature equation of state of solid 4He at low and high pressures', Journal of Physics Condensed Matter, vol. 20, http://dx.doi.org/10.1088/0953-8984/20/01/015223
    Journal articles | 2008
    Dr Claudio Cazorla Silva
    Cazorla C; Gillan MJ; Taioli S; Alfè D, 2008, 'Melting curve and Hugoniot of molybdenum up to 400 GPa by ab initio simulations', Journal of Physics: Conference Series, vol. 121, http://dx.doi.org/10.1088/1742-6596/121/1/012009
    Journal articles | 2008
    Dr Claudio Cazorla Silva
    Cazorla C; Boronat J, 2008, 'Two-dimensional molecular para-hydrogen and ortho-deuterium at zero temperature', Physical Review B - Condensed Matter and Materials Physics, vol. 78, http://dx.doi.org/10.1103/PhysRevB.78.134509
    Journal articles | 2008
    Dr Claudio Cazorla Silva
    Cazorla C; Alfè D; Gillan MJ, 2008, 'Comment on "molybdenum at high pressure and temperature: Melting from another solid phase"', Physical Review Letters, vol. 101, http://dx.doi.org/10.1103/PhysRevLett.101.049601
    Journal articles | 2008
    Dr Claudio Cazorla Silva
    Cazorla C; Boronat J, 2008, 'Atomic kinetic energy, momentum distribution, and structure of solid neon at zero temperature', Physical Review B - Condensed Matter and Materials Physics, vol. 77, http://dx.doi.org/10.1103/PhysRevB.77.024310
    Journal articles | 2008
    Dr Claudio Cazorla Silva
    Taioli S; Cazorla C; Gillan MJ; Alfè D, 2008, 'Ab-initio melting curve and principal Hugoniot of tantalum', Journal of Physics: Conference Series, vol. 121, http://dx.doi.org/10.1088/1742-6596/121/1/012010
    Journal articles | 2007
    Dr Claudio Cazorla Silva
    Taioli S; Cazorla C; Gillan MJ; Alfè D, 2007, 'Melting curve of tantalum from first principles', Physical Review B - Condensed Matter and Materials Physics, vol. 75, http://dx.doi.org/10.1103/PhysRevB.75.214103
    Journal articles | 2007
    Dr Claudio Cazorla Silva
    Cazorla C; Gillan MJ; Taioli S; Alfè D, 2007, 'Ab initio melting curve of molybdenum by the phase coexistence method', Journal of Chemical Physics, vol. 126, http://dx.doi.org/10.1063/1.2735324
    Journal articles | 2006
    Dr Claudio Cazorla Silva
    Cazorla C; Boronat J, 2006, 'Superfluidity versus localization in bulk He4 at zero temperature', Physical Review B - Condensed Matter and Materials Physics, vol. 73, http://dx.doi.org/10.1103/PhysRevB.73.224515
    Journal articles | 2005
    Dr Claudio Cazorla Silva
    Vranješ L; Boronat J; Casulleras J; Cazorla C, 2005, 'Quantum Monte Carlo simulation of overpressurized liquid He4', Physical Review Letters, vol. 95, http://dx.doi.org/10.1103/PhysRevLett.95.145302
    Journal articles | 2005
    Dr Claudio Cazorla Silva
    Cazorla C; Boronat J, 2005, 'Isotopic effects in solid LiH and LiD at very low temperature', Journal of Low Temperature Physics, vol. 139, pp. 645 - 650, http://dx.doi.org/10.1007/s10909-005-5452-4
    Journal articles | 2004
    Dr Claudio Cazorla Silva
    Boronat J; Cazorla C; Colognesi D; Zoppi M, 2004, 'Quantum hydrogen vibrational dynamics in LiH: Neutron-scattering measurements and variational Monte Carlo simulations', Physical Review B - Condensed Matter and Materials Physics, vol. 69, http://dx.doi.org/10.1103/PhysRevB.69.174302
    Journal articles | 2004
    Dr Claudio Cazorla Silva
    Cazorla C; Boronat J, 2004, 'Quantum Monte Carlo study of two-dimensional H2 on a Rb substrate', Journal of Low Temperature Physics, vol. 134, pp. 43 - 48, http://dx.doi.org/10.1023/b:jolt.0000012532.05904.50
  • Conference Papers | 2012
    Dr Claudio Cazorla Silva
    Shevlin S; Wang Y; Guo Z-X; Cazorla C; Aguey-Zinsou F, 2012, 'Combined experimental and theoretical studies on prospective hydrogen storage and carbon dioxide capture materials', in ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, AMER CHEMICAL SOC, San Diego, CA, presented at 11th International Biorelated Polymer Symposium / 243rd National Spring Meeting of the American-Chemical-Society (ACS), San Diego, CA, 25 March 2012 - 29 March 2012, http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000324475105640&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=891bb5ab6ba270e68a29b250adbe88d1
    Conference Papers | 2008
    Dr Claudio Cazorla Silva
    Cazorla C; Binnie S; Alfe D; Gillan MJ, 2008, 'Effect of the exchange-correlation energy and temperature on the generalized phase diagram of the 4d transition metals', in High Pressure Research, pp. 449 - 453, http://dx.doi.org/10.1080/08957950802506925
    Conference Papers | 2006
    Dr Claudio Cazorla Silva
    Markić LV; Boronat J; Casulleras J; Cazorla C, 2006, 'Quantum Monte Carlo study of overpressurized liquid 4He at zero temperature', in International Journal of Modern Physics B, pp. 5154 - 5163, http://dx.doi.org/10.1142/s0217979206036211
    Conference Papers | 2005
    Dr Claudio Cazorla Silva
    Markic LV; Boronat J; Casulleras J; Cazorla C, 2005, 'Quantum Monte Carlo study of overpressurized liquid He-4 at zero temperature', in Hernandez S; Cataldo H (ed.), RECENT PROGRESS IN MANY-BODY THEORIES, PROCEEDINGS, WORLD SCIENTIFIC PUBL CO PTE LTD, Univ Buenos Aires, Buenos Aires, ARGENTINA, pp. 190 - +, presented at 13th International Conference on Recent Progress in Many-Body Theories, Univ Buenos Aires, Buenos Aires, ARGENTINA, 05 December 2005 - 09 December 2005, http://dx.doi.org/10.1142/9789812772787_0021

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