1- Novel synthesis of semiconductor chalcohalide anti-perovskites by low-temperature molecular precursor ink deposition methodologies
Ivan Caño Prades; Benitez, P.; Asensi, J.M.; Payno, D.; Puigdollers, J.; Placidi, M.; Cazorla, C.; Agrawal, R.; Saucedo Silva, Edgardo
Journal of Materials Chemistry C 12, 3154 (2024)

2- Prediction and understanding of barocaloric effects in orientationally disordered materials from molecular dynamics simulations
Escorihuela, C.; Pardo, L.; Romanini, M.; Obrecht, N.; Loehlé, S.; Lloveras, P.; Tamarit, J. Ll.; Cazorla, C.
NPJ Computational Materials 10, 13 (2024)

3- Fast organic cation exchange in colloidal perovskite quantum dots toward functional optoelectronic applications
Zhao, C.; Cazorla, C.; Zhang, X.; Huang, H.; Zhao, X.; Li, D.; Shi, J.; Zhao, Q.; Ma, W.; Yuan, J.
Journal of the American Chemical Society 146, 4913-4921 (2024)

4- Light-driven dynamical tuning of the thermal conductivity in ferroelectrics
Cazorla, C.; Bichelmaier, S.; Escorihuela, C.; Íñiguez, J.; Carrete, J.; Rurali, R.
Nanoscale 16, 8335-8344 (2024)

5- Colossal reversible barocaloric effects in a plastic crystal mediated by lattice vibrations and ion diffusion
Zeng, M.; Escorihuela, C.; Ikeshoji, T.; Takagi, S.; Kim, S.; Orimo, S.; Del Barrio, M.; Tamarit, J. Ll.; Lloveras, P.; Cazorla, C.; Sau, K.
Advanced science (Weinheim) , (2024)

6- Giant multiphononic effects in a perovskite oxide
Cazorla, C.; Stengel, M.; Íñiguez, J.; Rurali, R.
npj computational materials 9, 97 (2023)

7- Eutectic mixture formation and relaxation dynamics of coamorphous mixtures of two benzodiazepine drugs
Valenti, S.; Cazorla, C.; Romanini, M.; Tamarit, J. Ll.; Macovez, R.
Pharmaceutics (Basel) 15, 196 (2023)

8- Universal ion-transport descriptors and classes of inorganic solid-state electrolytes
Lopez, C.; Emperador, A.; Saucedo Silva, Edgardo; Rurali, R.; Cazorla, C.
Materials Horizons 10, 1757-1768 (2023)

9- Efficient cocatalyst-free piezo-photocatalytic hydrogen evolution of defective BaTiO3-x nanoparticles from seawater
Jiang, Y.; Toe, C.; Mofarah, S.; Cazorla, C.; Chang, S.; Yin, Y.; Zhang, Q.; Lim, S.; Yao, Y.; Tian, R.; Wang, Y.; Zaman, T.; Arandiyan , H.; Andersson, G.; Scott, J.
ACS Sustainable Chemistry and Engineering 11, 3370-3389 (2023)

10- Thermodynamic stability of ß-phases in Zr-Nb alloys
Tuli, V.; Burr, P.; Claisse, A.; Cazorla, C.
Physical review materials 7, 11, article 113607 (2023)

11- Enhancing hydrogen peroxide electrosynthesis by manipulating the three-phase interface microenvironment
Zhang, D.; Tsounis, C.; Ma, Z.; Peng, L.; Lin, Z.; Yin, H.; Hussain, F.; Cazorla, C.; Chu, D.; Amal, R.; Han, Z.
Cell reports physical science 4, 11, article 101643 (2023)

12- First-principles study on the interplay of strain and state-of-charge with Li-Ion diffusion in the battery cathode material LiCoO2
Zhou, Z.; Cazorla, C.; Gao, B.; Luong, H.; Momma, T.; Tateyama, Y.
ACS Applied materials and interfaces 15, 53614-53622 (2023)

13- de Koning et al. Reply: [to Comment on "Absence of off-diagonal long-range order in hcp 4He dislocation cores"]
de Koning, M.; Cai, Wei; Cazorla, C.; Boronat, J.
Physical review letters 131, 18, article 189602 (2023)

14- Facet-engineered TiO2 drives photocatalytic activity and stability of supported noble metal clusters during H2 evolution
Chen, Y.; Soler, L.; Cazorla, C.; Oliveras, J.; Gómez, N.; Puntes, V.; Llorca, J.
Nature communications 14, article 6165 (2023)

15- Excitonic insulator to superconductor phase transition in ultra-compressed helium
Liu, C.; Errea, I.; Ding, C.; Pickard, C.; Conway, L.; Monserrat, B.; Fang, Y.; Lu, Q.; Sun, J.; Boronat, J.; Cazorla, C.
Nature communications 14, 4458 (2023)

16- Impact of side chain extension on the morphology and electrochemistry of phosphonated poly(ethylenedioxythiophene) derivatives
Hopkins, J.; Ta, D.; Lauto, A.; Baker, C.; Daniels, J.; Wagner, P.; Wagner, K.; Kirby, N.; Cazorla, C.; Officer, D.; Mawad, D.
Advanced materials technologies (Weinheim) 8, article 2300777 (2023)

17- Colossal room-temperature electrocaloric strength aided by hydrostatic pressure in lead-free multiferroic solid solutions
Menendez, C.; Rurali, R.; Cazorla, C.
Physical chemistry chemical physics 25, 17450-17459 (2023)

18- Lab free protein-based moisture electric generators with a high electric output
Zhu, R.; Zhu, Y.; Hu, L.; Guan, P.; Su, D.; Zhang, S.; Liu, C.; Feng, Z.; Hu, G.; Chen, F.; Wan, T.; Guan, X.; Wu, T.; Joshi, R.; Li, M.; Cazorla, C.
Energy & Environmental Science 16, 5 (2023)

19- How concerted are ionic hops in inorganic solid-state electrolytes?
Lopez, C.; Rurali, R.; Cazorla, C.
Journal of the American Chemical Society , (2023)

20- The cationic interstitials induced resistive switching: a case study on Mn-doped SnO2
Xu, Z.; Ji, T.; Zhang, S.; Guan, P.; Elliott, J.; Wan, T.; Cazorla, C.; Chu, D.
Materials science and technology 39, 1180-1186 (2023)

21- Absence of off-diagonal long-range order in hcp 4He dislocation cores
de Koning, M.; Cai, Wei; Cazorla, C.; Boronat, J.
Physical review letters 130, 1, article 016001 (2023)

22- Enhanced pH-universal hydrogen evolution reactions on the Ru/a–Ni–MoO3 electrocatalysts
Peng, L.; Zhang, D.; Ma, Z.; Chu, D.; Cazorla, C.; Amal, R.; Han, Z.
Small structures 4, 12, article 2300194 (2023)

23- Enhancing cyclic and in-air stability of Ni-Rich cathodes through perovskite oxide surface coating
Guan, P.; Zhu, Y.; Li, M.; Zeng, T.; Li, X.; Tian, R.; Sharma, N.; Xu, Z.; Wan, T.; Hu, L.; Liu, Y.; Cazorla, C.; Chu, D.
Journal of Colloid and Interface Science 628, 407-418 (2022)

24- A facile approach to tailor electrocatalytic properties of MnO2 through tuning phase transition, surface morphology and band structure
Zhou, Y.; Zhou, Z.; Hu, L.; Tian, R.; Wang, Y.; Arandiyan , H.; Chen, F.; Li, M.; Wan, T.; Han, Z.; Ma, Z.; Lu, X.; Cazorla, C.; Wu, T.; Chu, D.
Chemical Engineering Journal 438, 135561 (2022)

25- Boosting moisture induced electricity generation from graphene oxide through engineering oxygen-based functional groups
Zhu, R.; Zhu, Y.; Chen, F.; Patterson, R.; Zhou, Y.; Wan, T.; Hu, L.; Wu, T.; Joshi, R.; Li, M.; Cazorla, C.; Lu, Y.; Han, Z.; Chu, D.
Nano Energy 94, 106942 (2022)

26- Role of optical phonons and anharmonicity in the appearance of the heat capacity Boson peak-like anomaly in fully ordered molecular crystals
Krivchikov, A.; Jezowski, A.; Szewczyk, D.; Korolyuk, O.; Romantsova, O.; Buravtseva, L.; Cazorla, C.; Tamarit, J. Ll.
Journal of Physical Chemistry Letters 13, 5061-5067 (2022)

27- Indigo: a natural molecular passivator for efficient perovskite solar cells
Guo, J.; Sun, J.; Fang, S.; Ling, X.; Zhang, X.; Wang, Y.; Huang, H.; Han, C.; Cazorla, C.; Yang, Y.; Chu, D.; Wu, T.; Yuan, J.; Ma, W.
Advanced Energy Materials 12, 2200537 (2022)

28- Dynamical tuning of the thermal conductivity via magnetophononic effects
Cazorla, C.; Rurali, R.
Physical Review B 105, 104401 (2022)

29- Giant Thermal Transport Tuning at a Metal/Ferroelectric Interface
Y. P. Zang, C. Di, X. J. Yan, D. X. Ji, X. Y. Jiang, H. Y. Fu, J. J. Wang, H. Y. Sun, L. Han, Z. B. Gu, D. S. Kong, H. Aramberri, C. Cazorla, J. Íñiguez, R. Rurali, L. Q. Chen, J. Zhou, M. H. Lu, Y. F. Nie, Y. F. Chen, and X. Q. Pan
Advanced Materials 33, 2105778 (2021)

30- Design strategies for ceria nanomaterials: Untangling key mechanistic concepts
Y. Xu, S. S. Mofarah, R. Mehmood, C. Cazorla, P. Koshy, and C. C. Sorrell
Materials Horizons 8, 102 (2021)

31- Copper diffusion rates and hopping pathways in superionic Cu2Se
S. M. K. N. Islam, P. Mayank, Y. Ouyang, J. Chen, A. K. Sagotra, M. Li, R. Mole, C. Cazorla, D. Yu, X. Wang, R. A. Robinson, and D. Cortie
Acta Materialia 215, 117026 (2021)

32- Highly catalytically active CeO2-x based heterojunction nanostructures with mixed micro/meso-porous architectures
S. S. Mofarah, L. Schreck, C. Cazorla, X. Zheng, E. Adabifiroozjaei, C. Tsounis, J. Scott, R. Shahmiri, Y. Yao, R. Abbasi, K. Kalantar-Zadeh, Y. Wang, H. Arandiyan, L. Sheppard, E. Doustkhah, P. Koshy, and C. C. Sorrell
Nanoscale 13, 6764 (2021)

33- Transparent and flexible Mn1-x-y(CexLay)O2-z ultrathin-film device for highly-stable pseudocapacitance application
S. Maroufi, R. J. Nekouei, S. S. Mofarah, C. Cazorla, A. P. O'Mullane, and V. Sahajwalla
Advanced Functional Materials 31, 2100880 (2021)

34- Highly catalytically active CeO2-x based heterojunction nanostructures with mixed micro/meso-porous architectures
S. S. Mofarah, L. Schreck, C. Cazorla, X. Zheng, E. Adabifiroozjaei, C. Tsounis, J. Scott, R. Shahmiri, Y. Yao, R. Abbasi, K. Kalantar-Zadeh, Y. Wang, H. Arandiyan, L. Sheppard, E. Doustkhah, P. Koshy, and C. C. Sorrell
Nanoscale 13, 6764-6771 (2021)

35- Decoupling the impacts of engineering defects and bandgap alignment mechanism on the catalytic performance of holey two-dimensional CeO2-based heterojunctions
X. Zheng, S. S. Mofarah, C. Cazorla, R. Daiyan, A. A. E. Valmazouyi, J. Scott, Y. Yao, V. Wong, and C. C. Sorrell
Advanced Functional Materials 31, 2103171 (2021)

36- Impact of surface defects on LaNiO3 perovskite electrocatalysts for oxygen evolution reaction
H. Arandiyan, S. S. Mofarah, Y. Wang, C. Cazorla, D. Jampaiah, K. Wilson, A. F. Lee, and T. Maschmeyer
Chemistry - A European Journal 27, 14418 (2021)

37- High-conductive protonated layered-oxides from H2O vapor-annealed brownmillerites
Songbai Hu, Yuanmin Zhu, Wenqiao Han, Xiaowen Li, Mao Ye, Cai Jin, Qi Liu, Sixia Hu, Jiaou Wang, Junling Wang, Claudio Cazorla, and Lang Chen
Advanced Materials 33, 2104623 (2021)

38- On the possibility that PbZrO3 not be antiferroelectric
Aramberri, H.; Cazorla, C.;Massimiliano Stengel, M. and Íñiguez, J.
NPJ Computational Materials 7, 196 (2021)

39- Self-adhesive flexible patches of oxide heterojunctions with tailored band alignments for electrocatalytic H2O2 generation
R. K. Nekouei, S. S. Mofarah, S. Maroufi, C. Cazorla, Y. Yao, A. P. O'Mullane, A. Tricoli, and V. Sahajwalla
Journal of Materials Chemistry A 9, 26727-26740 (2021)

40- Quantum Dot Passivation of Halide Perovskite Films with Reduced Defects, Suppressed Phase Segregation, and Enhanced Stability
L. Hu, L. Duan, Y. Yao, W. Chen, Z. Zhou, C. Cazorla, C.-H. Lin, X. Guan, X. Geng, F. Wang, T. Wan, S. Wu, S. Cheong, R. Tilley, S. Liu, D. Chu, T. Wu, and S. Huang
Avdanced Science 8, 2102258 (2021)

41- Enhancement of phase stability and optoelectronic performance of BiFeO3 thin films via cation co-substitution
Machado, P.; Caño, I.; Menendez, C.; Cazorla, C. ; Tan, H.; Fina, I.; Campoy, M.; Escudero, C.; Tallarida, M. and Coll, M.
Journal of Materials Chemistry C 9, 330-339 (2021)

42- Ab initio description of oxygen vacancies in epitaxially strained SrTiO 3 at finite temperatures
Zhou, Z.; Chu, D. and Cazorla, C.
Scientific Reports 11, 11499 (2021)

43- Colossal barocaloric effects in the complex hydride Li 2 B 12 H 12
Sau, K.; Ikeshoji, T.; Takagi, S.; Orimo, S.; Errandonea, D.; Chu, D. and Cazorla, C.
Scientific Reports 11, 11915 (2021)

44- Bridging NiCo layered double hydroxides and Ni3S2 for bifunctional electrocatalysts: the role of vertical graphene
Xiao, Z.; Fan, J.; Lu, X.; Han, Z.; Cazorla, C.; Hu, L.; Wu, T. and Chu, D.
Chemical Engineering Journal 415, 129048 (2021)

45- Heat capacity anomalies of the molecular crystal 1-fluoro-adamantane at low temperatures
Szewczyk, D.; Gebbia, J. F.; Jezowski, A.; Krivchikov, A.; Guidi, T.; Cazorla, C. and Tamarit, J. Ll.
Scientific Reports 11, 18640 (2021)

46- Evolution of Structural and Electronic Properties of TiSe2 under High Pressure
Saqib, H.; Rahman, S.; Zhao, Y.; Cazorla, C.; Errandonea, D.; Susilo, R.; Zhuang, Y.; Huang, Y.; Chen, B. and Dai, N.
Journal of Physical Chemistry Letters 12, 9859-9867 (2021)

47- Low-temperature heat capacity anomalies in ordered and disordered phases of normal and deuterated thiophene
Y. Miyazaki, M. Nakano, A. I. Krivchikov, O. A. Koroyuk, J. F. Gebbia, C. Cazorla, and J. Ll. Tamarit
Journal of Physical Chemistry Letters 12, 2112-2117 (2021)

48- Role of oxygen vacancy ordering and channel formation in tuning intercalation pseudocapacitance in Mo single-ion implanted CeO2-x nanoflakes
X. Zheng, S. S. Mofarah, A. Cen, C. Cazorla, E. Haque, A. J. Atanacio, M. Manohar, E. Y. Chen, and C. C. Sorrell
ACS Applied Materials & Interfaces 13, 59820–59833 (2021)

49- Enhanced ferroelectric and piezoelectric properties of BCT-BZT at the morphotropic phase boundary driven by the coexistence of phases of different symmetries
S. Dash, D. K. Pradhan, S. Kumari, R. Ravikant, M. Rahaman, C. Cazorla, K. Brajesh, A. Kumar, R. Thomas, P. D. Rack, and D. K. Pradhan
Physical Review B 104, 224105 (2021)

50- Electroluminescent Solar Cells Based on CsPbI3 Perovskite Quantum Dots
Y. Wang, C. Duan, X. Zhang, J. Sun, X. Ling, W. Han, Z. Zhou, X. Wu, X. Liu, C. Cazorla, L. Hu, D. Chu, S. Huang, T. Wu, J. Yuan, and W. Ma
Advanced Funtional Materials 31, 2108615 (2021)

51- Giant thermal enhancement of the electric polarization in ferrimagnetic BiFe1-xCoxO3 solid solutions near room temperature
Menendez, C. and Cazorla, C.
Physical Review Letters 125, 117601 (2020)

52- Nature of alkali ion conduction and reversible Na-ion storage in hybrid formate framework materials
Polek, A.; Cazorla, C. and Kundu, D.
Journal of Physical Chemistry C 124, 26714-26721 (2020)

53- Dislocation structure and mobility in hcp rare-gas solids: quantum versus classical
Sempere, S. ; Serra, A. ; Boronat, J. ; Cazorla, C.
Crystals 8, 64 (2018)

54- Giant barocaloric effects over a wide temperature range in the superionic conductor AgI
Aznar, A.; Lloveras, P.; Romanini, M.; Del Barrio, M.; Tamarit, J. Ll.; Cazorla, C.; Errandonea, D.; Mathur, N.; Planes, A.; Moya, X.; Mañosa Carrera, Lluis
Nature Communications 8, 1851 (2017)

55- Simulation and understanding of atomic and molecular quantum crystals
Cazorla, C. ; Boronat, J.
Reviews of Modern Physics 89, 035003 (2017)

56- First-principles modeling of three-body interactions in highly compressed solid helium
Cazorla, C. ; Boronat, J.
Physical Review B 92, 224113 (2015)

57- The Limit of mechanical stability in quantum crystals: a diffusion Monte Carlo study of solid He-4
Cazorla, C. ; Boronat, J.
Journal of Low Temperature Physics 180, 20-28 (2015)

58- First-principles modeling of quantum nuclear effects and atomic interactions in solid He-4 at high pressure
Cazorla, C. ; Boronat, J.
Physical Review B 91, 024103 (2015)

59- Quantum phase transition with a simple variational ansatz
Lutsyshyn, Y. ; Astrakharchik, G. ; Cazorla, C. ; Boronat, J.
Physical Review B 90, 214512 (2014)

60- H-2 physisorbed on graphane
Carbonell-Coronado, C. ; De Soto, F. ; Cazorla, C. ; Boronat, J. ; Gordillo, M. C.
Journal of Low Temperature Physics 171, 619-625 (2013)

61- Elastic constants of incommensurate solid 4He from diffusion Monte Carlo simulations
Cazorla, C. ; Lutsyshyn, Y. ; Boronat, J.
Physical Review B 87, 214522 (2013)

62- Zero-temperature phase diagram of D2 physisorbed on graphane
Carbonell-Coronado, C. ; De Soto, F. ; Cazorla, C. ; Boronat, J. ; Gordillo, M. C.
Journal of physics: condensed matter 25, 445011 (2013)

63- Possible superfluidity of molecular hydrogen in a two-dimensional crystal phase of sodium
Cazorla, C. ; Boronat, J.
Physical Review B 88, 224501 (2013)

64- A microscopic description of vacancies in solid He-4
Rota, R. ; Lutsyshyn, Y. ; Cazorla, C. ; Boronat, J.
Journal of Low Temperature Physics 168, 150-161 (2012)

65- Elastic constants of solid 4He under pressure: Diffusion Monte Carlo study
Cazorla, C. ; Lutsyshyn, Y. ; Boronat, J.
Physical Review B 85, 024101 (2012)

66- Supersolidity in quantum films adsorbed on graphene and graphite
Gordillo, M. C. ; Cazorla, C. ; Boronat, J.
Physical Review B 83, 1406(R) (2011)

67- Instability of Vacancy Clusters in Solid 4He
Lutsyshyn, Y. ; Cazorla, C. ; Boronat, J.
Journal of Low Temperature Physics 158, 608-614 (2010)

68- Ground-state properties and superfluidity of two- and quasi-two-dimensional solid He-4
Cazorla, C. ; Astrakharchik, G. ; Casulleras, J. ; Boronat, J.
Journal of Physics: Condensed Matter 22, 65402-65402 (2010)

69- Properties of vacancy formation in hcp 4He crystals at zero temperature and fixed pressure
Lutsyshyn, Y. ; Cazorla, C. ; Astrakharchik, G. ; Boronat, J.
Physical Review B 82, 180506(R) (2010)

70- "Bose-Einstein quantum statistics and the ground state of solid He-4"
Cazorla, C. ; Astrakharchik, G. ; Casulleras, J. ; Boronat, J.
New Journal of Physics 11, 013047 (2009)

71- "Zero-temperature equation of state of solid He-4 at low and high pressures"
Cazorla, C. ; Boronat, J.
Journal of Physics: Condensed Matter 20, 15223-15223 (2008)

72- "Atomic kinetic energy, momentum distribution, and structure of solid neon at zero temperature"
Cazorla, C. ; Boronat, J.
Physical Review B 77, 24310-24310 (2008)

73- "Superfluidity versus localization in bulk 4He at zero temperature"
Cazorla, C. ; Boronat, J.
Physical Review B 73, 224515 (2006)

74- "Isotope effects in solid LiH and LiD at very low temperature"
Cazorla, C. ; Boronat, J.
Journal of Low Temperature Physics 139, 645-650 (2005)

75- "Quantum Monte Carlo simulation of overpressurized liquid 4He"
Vranjes, L. ; Boronat, J. ; Casulleras, J. ; Cazorla, C.
Physical Review Letters 95, 145302 (2005)

76- "Quantum Monte Carlo study of two-dimensional H2 on a Rb substrate"
Cazorla, C. ; Boronat, J.
Journal of Low Temperature Physics 134, 43-48 (2004)

77- "Quantum hydrogen vibrational dynamics in LiH: Neutron-scattering measurements and variational Monte Carlo simulations"
Boronat, J. ; Cazorla, C. ; Colognesi, D. ; Zoppi, M.
Physical Review B 69, 174302 (2004)