1- 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)

2- On the quasiparticle nature of the Bose polaron at finite temperature
Pascual, G. and Boronat, J.
Physical Review Letters 128 205301 (2021)

3- 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)

4- 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)

5- 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)

6- 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)

7- 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)

8- 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)

9- 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)

10- 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)

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

12- 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)

13- 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)

14- Accurate Description of Protein–Protein Recognition and Protein Aggregation with the Implicit-Solvent-Based PACSAB Protein Model
Emperador, A.
Polymers 13 4172 (2021)

15- 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)

16- 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)

17- 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)

18- 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)

19- 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)

20- Stability and breakdown of Fermi polarons in a strongly interacting Fermi-Bose mixture
I. Fritsche, C. Baroni, E. Dobler, E. Kirilov, B. Huang, R. Grimm, G. M. Bruun, and P. Massignan
Physical Review A 103 053314 (2021)

21- Topological transport of mobile impurities
D. Pimenov, A. Camacho-Guardian, N. Goldman, P. Massignan, G. M. Bruun, M. Goldstein
Physical Review B 103 245106 (2021)

22- Bloch-Landau-Zener dynamics induced by a synthetic field in a photonic quantum walk
A. D'Errico, R. Barboza, R. Tudor, A. Dauphin, P. Massignan, L. Marrucci, and F. Cardano
APL Photonics 6 020802 (2021)

23- Universal aspects of a strongly interacting impurity in a dilute Bose condensate
P. Massignan, N. Yegovtsev, and V. Gurarie
Physical Review Letters 126 123403 (2021)

24- Measuring topological invariants in polaritonic graphene
P. St-Jean, A. Dauphin, P. Massignan, B. Real, O. Jamadi, M. Mili?evi?, A. Lemaître, A. Harouri, L. Le Gratiet, I. Sagnes, S. Ravets, J. Bloch, and A. Amo
Physical Review Letters 126 127403 (2021)

25- Mobile impurity in a Bose-Einstein condensate and the orthogonality catastrophe
N.-E. Guenther, R. Schmidt, G. M. Bruun, V. Gurarie, and P. Massignan
Physical Review A 103 013317 (2021)

26- Ionic polaron in a Bose-Einstein condensate
Astrakharchik, G. and Schmidt, R.
Communications Physics 4 94 (2021)

27- Microscopic interactions of melatonin, serotonin and tryptophan with zwitterionic phospholipid membranes
Marti, J. and Lu, Huixia
International Journal of Molecular Sciences 22 2842 (2021)

28- Thermodynamic properties of a molecular dipolar liquid using the two-phase thermodynamic approach
Palomar, R. and Sese, G.
Physical Chemistry Chemical Physics 23 26524-26533 (2021)

29- Triangular Gross-Pitaevskii breathers and Damski-Chandrasekhar shock waves
Olshanii, M. ; Deshommes, D. ; Gonchenko, M.; Dunjko, V.; Astrakharchik, G.
SciPost Physics 10 034210 (2021)

30- 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)

31- Universal dimerized quantum droplets in a one-dimensional lattice
Morera, I.; Astrakharchik, G.; Polls, A. and Julia, B.
Physical Review Letters 126 023001 (2021)

32- Structural superfluid-Mott-insulator transition for a Bose gas in multirods
Rodríguez, O. and Boronat, J.
Physical Review A 103 013311 (2021)

33- Amplitude death and restoration in networks of oscillators with random-walk diffusion
Clusella, P.; Pastor-Satorras, R. and Miguel Lopez, M.C.
Communications Physics 4 13 (2021)

34- Structure and dynamics of water plastic crystals from computer simulations
Henao, A.; Salazar-Rios, J.; Guardia, E. and Pardo, L.
Journal of Chemical Physics 154 104501 (2021)

35- Estimation of the condensate fraction from the static structure factor
Lozovik, Y.; Kurbakov, I. L.; Astrakharchik, G. and Boronat, J.
Physical Review B 103 094511 (2021)

36- Quantum phase transition of a two-dimensional quadrupolar system
Astrakharchik, G.; Kurbakov, I. L. and Lozovik, Y.
Physical Review B 103 L140101 (2021)

37- Finite-range effects in the two-dimensional repulsive Fermi polaron
Bombin, R.; Cikojevic, V.; Sánchez, J. and Boronat, J.
Physical Review A 103 L041302 (2021)

38- Thermal instability, evaporation, and thermodynamics of one-dimensional liquids in weakly interacting Bose-Bose mixtures
De Rosi, G.; Astrakharchik, G. and Massignan, P.
Physical Review A 103 043316 (2021)

39- Effect of the Water Model in Simulations of Protein–Protein Recognition and Association
Emperador, A., Crehuet, R. and Guardia, E.
Polymers 13 176 (2021)

40- 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)

41- 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)

42- 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)

43- Influence of individual nodes for continuous-time susceptible-infected-susceptible dynamics on synthetic and real-world networks
De Bellis, A.; Pastor-Satorras, R. and Castellano, C.
Physical Review E 104 014306 (2021)

44- Renormalization-group study of Bose polarons
Isaule, F.; Morera, I.; Massignan, P. and Julia, B.
Physical Review A 104 023317 (2021)

45- Polaron interactions and bipolarons in one-dimensional Bose bases in the strong coupling regime
Astrakharchik, G.
Physical Review Letters 127 103401 (2021)

46- On the different faces of the supercritical phase of water at a near-critical temperature: pressure-induced structural transitions ranging from a gaslike fluid to a plastic crystal polymorph
Skarmoutsos, I.; Henao, A.; Guardia, E. and Samios, J.
Journal of Physical Chemistry B 125 10260-10272 (2021)

47- 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)

48- Dilute quantum liquid in a K-Rb Bose mixture
Cikojevic, V.; Poli, E.; Ancilotto, F.; Vranjes, L. and Boronat, J.
Physical Review A 104 033319 (2021)

49- Structure of benzothiadiazine at zwitterionic phospholipid cell membranes
Hu, Zheyao; Marti, J. and Lu, Huixia
Journal of Chemical Physics 155 154303 (2021)

50- Quantum halo states in two-dimensional dipolar clusters
Guijarro, G.; Astrakharchik, G. and Boronat, J.
Scientific Reports 11 19437 (2021)