Simonov, A. & Goodwin, A. L. Designing disorder into crystalline materials. Nat. Rev. Chem. 4, 657 (2020).
Lee, J. et al. Unlocking the potential of cation-disordered oxides for rechargeable lithium batteries. Science 343, 519 (2014).
Kim, B. et al. A theoretical framework for oxygen redox chemistry for sustainable batteries. Nat. Sustain. 5, 708–716 (2022).
House, R. A. et al. Superstructure control of first-cycle voltage hysteresis in oxygen-redox cathodes. Nature 577, 502–508 (2020).
Liu, T. et al. Origin of structural degradation in Li-rich layered oxide cathode. Nature 606, 305 (2022).
Sleight, A. Zero-expansion plan. Nature 425, 674–675 (2003).
Qiu, B. et al. Metastability and reversibility of anionic redox-based cathode for high-energy rechargeable batteries. Cell Rep. Phys. Sci. 1, 100028 (2020).
Singer, A. et al. Nucleation of dislocations and their dynamics in layered oxide cathode materials during battery charging. Nat. Energy 3, 641–647 (2018).
Bennett, T. D., Cheetham, A. K., Fuchs, A. H. & Coudert, F. X. Interplay between defects, disorder and flexibility in metal-organic frameworks. Nat. Chem. 9, 11–16 (2016).
Ma, E. Tuning order in disorder. Nat. Mater. 14, 547 (2015).
Keen, D. & Goodwin, A. L. The crystallography of correlated disorder. Nature 521, 303–309 (2015).
Onsager, L. Crystal statistics I. A two-dimensional model with an order-disorder transition. Phys. Rev. 65, 117 (1944).
Evans, J. S. O. et al. Compressibility, phase transitions, and oxygen migration in zirconium tungstate, ZrW2O8. Science 275, 61 (1996).
Mary, T. A., Evans, J. S., Vogt, T. & Sleight, A. W. Negative thermal expansion from 0.3 to 1050 Kelvin in ZrW2O8. Science 272, 90 (1996).
Lunkenheimer, P., Loidl, A., Riechers, B., Zaccone, A. & Samwer, K. Thermal expansion and the glass transition. Nat. Phys. 19, 694–699 (2023).
Zhang, L. et al. Giant polarization in super-tetragonal thin films through interphase strain. Science 361, 494 (2018).
Zheng, X. G. et al. Giant negative thermal expansion in magnetic nanocrystals. Nat. Nanotech. 3, 724–726 (2008).
Liao, J. et al. Thermally boosted upconversion and downshifting luminescence in Sc2(MoO4)3:Yb/Er with two-dimensional negative thermal expansion. Nat. Commun. 13, 2090 (2022).
Yamamoto, H., Imai, T., Sakai, Y. & Azuma, M. Colossal negative thermal expansion in electron-doped PbVO3 perovskites. Angew. Chem. Inter. Ed. 57, 8170–8173 (2018).
Azuma, M. et al. Colossal negative thermal expansion in BiNiO3 induced by intermetallic charge transfer. Nat. Commun. 2, 347 (2011).
Wang, W. et al. Local orthorhombic lattice distortions in the paramagnetic tetragonal phase of superconducting NaFe1-xNixAs. Nat. Commun. 9, 3128 (2018).
Bruce, P. G., Freunberger, S. A., Hardwick, L. J. & Tarascon, J.-M. Li-O2 and Li-S batteries with high energy storage. Nat. Mater. 11, 19–29 (2012).
Ulvestad, A. et al. Topological defect dynamics in operando battery nanoparticles. Science 348, 1344 (2015).
Assat, G. & Tarascon, J.-M. Fundamental understanding and practical challenges of anionic redox activity in Li-ion batteries. Nat. Energy 3, 373–386 (2018).
Sathiya, M. et al. Reversible anionic redox chemistry in high-capacity layered-oxide electrodes. Nat. Mater. 12, 827 (2013).
McCalla, E. et al. Visualization of O-O peroxo-like dimers in high-capacity layered oxides for Li-ion batteries. Science 350, 1516–1521 (2015).
Qiu, B. et al. Gas–solid interfacial modification of oxygen activity in layered oxide cathodes for lithium-ion batteries. Nat. Commun. 7, 12108 (2016).
Frati, F., Hunault, M. O. J. Y. & de Groot, F. M. F. Oxygen K-edge X-ray absorption spectra. Chem. Rev. 120, 4056–4110 (2020).
Assat, G., Iadecola, A., Foix, D., Dedryvère, R. & Tarascon, J.-M. Direct quantification of anionic redox over long cycling of Li-rich NMC via hard X-ray photoemission spectroscopy. ACS Energy Lett. 3, 2721–2728 (2018).
Dai, K. et al. High reversibility of lattice oxygen redox quantified by direct bulk probes of both anionic and cationic redox reactions. Joule 3, 1–24 (2019).
Hu, E. et al. Evolution of redox couples in Li- and Mn-rich cathode materials and mitigation of voltage fade by reducing oxygen release. Nat. Energy 3, 690–698 (2018).
Zhou, Y. et al. Sufficient oxygen redox activation against voltage decay in Li-rich layered oxide cathode materials. ACS Mater. Lett. 3, 433–441 (2021).
Gent, W. E. et al. Coupling between oxygen redox and cation migration explains unusual electrochemistry in lithium-rich layered oxides. Nat. Commun. 8, 2091 (2017).
Yabuuchi, N. et al. High-capacity electrode materials for rechargeable lithium batteries: Li3NbO4-based system with cation-disordered rocksalt structure. Proc. Natl Acad. Sci. USA 112, 7650–7655 (2015).
Hong, J. et al. Metal-oxygen decoordination stabilizes anion redox in Li-rich oxides. Nat. Mater. 18, 256 (2019).
Yin, W. et al. Structural evolution at the oxidative and reductive limits in the first electrochemical cycle of Li1.2Ni0.13Mn0.54Co0.13O2. Nat. Commun. 11, 1252 (2020).
Csernica, P. M. et al. Persistent and partially mobile oxygen vacancies in Li-rich layered oxides. Nat. Energy 6, 642–652 (2021).
Cupid, D. M. et al. Interlaboratory study of the heat capacity of LiNi1/3Mn1/3Co1/3O2 (NMC111) with layered structure. Int. J. Mater. Res. 108, 1008–1021 (2017).
Yin, C. et al. Boosting energy efficiency of Li-rich layered oxide cathodes by tuning oxygen redox kinetics and reversibility. Energy Storage Mater. 35, 388 (2021).
Li, X. et al. Rational design of thermally stable polymorphic layered cathode materials for next generation lithium rechargeable batteries. Mater. Today 61, 91 (2022).
Yin, C. et al. Structural insights into composition design of Li-rich layered cathode materials for high-energy rechargeable battery. Mater. Today 51, 15 (2021).
Zhang, M. et al. High pressure effect on structural and electrochemical properties of anionic redox-based lithium transition metal oxides. Matter 4, 164–181 (2021).
Zhou, X., Wang, F., Zhu, Y. & Liu, Z. Graphene modified LiFePO4 cathode materials for high power lithium ion batteries. J. Mater. Chem. 21, 3353–3358 (2011).
Yang, T.-Y., Wen, W. & Yin, G.-Z. Introduction of the X-ray diffraction beamline of SSRF. Nucl. Sci. Tech. 26, 020101 (2015).
Chen, J. et al. Tunable thermal expansion in framework materials through redox intercalation. Nat. Commun. 8, 14441 (2017).
Casas-Cabanas, M., Reynaud, M., Rikarte, J., Horbach, P. & Rodríguez-Carvajal, J. FAULTS: a program for refinement of structures with extended defects. J. Appl. Crystallogr. 49, 2259–2269 (2016).
Shunmugasundaram, R., Arumugam, R. S. & Dahn, J. A study of stacking faults and superlattice ordering in some Li-rich layered transition metal oxide positive electrode materials. J. Electrochem. Soc. 163, A1394–A1400 (2016).
Toby, B. H. & Dreele, R. B. V. GSAS-II: the genesis of a modern open-source all purpose crystallography software package. J. Appl. Crystallogr. 46, 544–549 (2013).
