{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,6,3]],"date-time":"2026-06-03T10:32:46Z","timestamp":1780482766669,"version":"3.54.1"},"reference-count":32,"publisher":"MDPI AG","issue":"20","license":[{"start":{"date-parts":[[2024,10,17]],"date-time":"2024-10-17T00:00:00Z","timestamp":1729123200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["52122702"],"award-info":[{"award-number":["52122702"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["52307237"],"award-info":[{"award-number":["52307237"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["52122702"],"award-info":[{"award-number":["52122702"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["52307237"],"award-info":[{"award-number":["52307237"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["IJMS"],"abstract":"<jats:p>Aqueous zinc-ion batteries (AZIBs) have become a promising and cost-effective alternative to lithium-ion batteries due to their low cost, high energy, and high safety. However, dendrite growth, hydrogen evolution reactions (HERs), and corrosion significantly restrict the performance and scalability of AZIBs. We propose the introduction of a BaTiO3 (BTO) piezoelectric polarized coating as an interface modification strategy for ZIBs. The low surface energy of the BTO (110) crystal plane ensures its thermodynamic preference during crystal growth in experimental processes and exhibits very low reactivity toward oxidation and corrosion. Calculations of interlayer coupling mechanisms reveal a stable junction between BTO (110) and Zn (002), ensuring system stability. Furthermore, the BTO (110) coating also effectively inhibits HERs. Diffusion kinetics studies of Zn ions demonstrate that BTO effectively suppresses the dendrite growth of Zn due to its piezoelectric effect, ensuring uniform zinc deposition. Our work proposes the introduction of a piezoelectric material coating into AZIBs for interface modification, which provides an important theoretical perspective for the mechanism of inhibiting dendrite growth and side reactions in AZIBs.<\/jats:p>","DOI":"10.3390\/ijms252011172","type":"journal-article","created":{"date-parts":[[2024,10,17]],"date-time":"2024-10-17T08:56:32Z","timestamp":1729155392000},"page":"11172","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":2,"title":["The Introduction of a BaTiO3 Polarized Coating as an Interface Modification Strategy for Zinc-Ion Batteries: A Theoretical Study"],"prefix":"10.3390","volume":"25","author":[{"given":"Diantao","family":"Chen","sequence":"first","affiliation":[{"name":"Key Laboratory of Engineering Dielectric and Applications (Ministry of Education), Harbin University of Science and Technology, Harbin 150000, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jiawei","family":"Zhang","sequence":"additional","affiliation":[{"name":"Key Laboratory of Engineering Dielectric and Applications (Ministry of Education), Harbin University of Science and Technology, Harbin 150000, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Qian","family":"Liu","sequence":"additional","affiliation":[{"name":"Key Laboratory of Engineering Dielectric and Applications (Ministry of Education), Harbin University of Science and Technology, Harbin 150000, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Fan","family":"Wang","sequence":"additional","affiliation":[{"name":"Key Laboratory of Engineering Dielectric and Applications (Ministry of Education), Harbin University of Science and Technology, Harbin 150000, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xin","family":"Liu","sequence":"additional","affiliation":[{"name":"Key Laboratory of Engineering Dielectric and Applications (Ministry of Education), Harbin University of Science and Technology, Harbin 150000, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6014-328X","authenticated-orcid":false,"given":"Minghua","family":"Chen","sequence":"additional","affiliation":[{"name":"Key Laboratory of Engineering Dielectric and Applications (Ministry of Education), Harbin University of Science and Technology, Harbin 150000, China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2024,10,17]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"1167","DOI":"10.1021\/ja3091438","article-title":"The Li-ion rechargeable battery: A perspective","volume":"135","author":"Goodenough","year":"2013","journal-title":"J. Am. Chem. Soc."},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"2682","DOI":"10.1039\/c0ee00699h","article-title":"Recent developments in nanostructured anode materials for rechargeable lithium-ion batteries","volume":"4","author":"Ji","year":"2013","journal-title":"Energy Environ. Sci."},{"key":"ref_3","doi-asserted-by":"crossref","first-page":"7968","DOI":"10.1039\/C5CS00289C","article-title":"A chemistry and material perspective on lithium redox flow batteries towards high-density electrical energy storage","volume":"4","author":"Zhao","year":"2015","journal-title":"Chem. Soc. Rev."},{"key":"ref_4","doi-asserted-by":"crossref","first-page":"513","DOI":"10.1039\/C3EE40795K","article-title":"Lithium metal anodes for rechargeable batteries","volume":"7","author":"Xu","year":"2014","journal-title":"Energy Environ. Sci."},{"key":"ref_5","doi-asserted-by":"crossref","first-page":"359","DOI":"10.1038\/35104644","article-title":"Issues and challenges facing rechargeable lithium batteries","volume":"414","author":"Tarascon","year":"2001","journal-title":"Nature"},{"key":"ref_6","doi-asserted-by":"crossref","first-page":"4058","DOI":"10.1016\/j.egyr.2022.03.016","article-title":"Overview of batteries and battery management for electric vehicles","volume":"8","author":"Liu","year":"2022","journal-title":"Energy Rep."},{"key":"ref_7","doi-asserted-by":"crossref","first-page":"11788","DOI":"10.1021\/cr500232y","article-title":"Aqueous rechargeable Li and Na ion batteries","volume":"114","author":"Kim","year":"2014","journal-title":"Chem. Rev."},{"key":"ref_8","doi-asserted-by":"crossref","first-page":"2300606","DOI":"10.1002\/aenm.202300606","article-title":"Recent Progress on Zn anodes for Advanced Aqueous Zinc-ion Batteries","volume":"13","author":"Nie","year":"2023","journal-title":"Adv. Energy Mater."},{"key":"ref_9","doi-asserted-by":"crossref","first-page":"2515","DOI":"10.1021\/acsenergylett.2c01152","article-title":"Regulating water activity for rechargeable zinc-ion batteries: Progress and perspective","volume":"7","author":"Yang","year":"2022","journal-title":"ACS Energy Lett."},{"key":"ref_10","doi-asserted-by":"crossref","first-page":"e202402069","DOI":"10.1002\/anie.202402069","article-title":"Synchronous Regulation of D-band Centers in Zn Substrates and Weakening Pauli Repulsion of Zn Ions Using the Ascorbic Acid Additive for Reversible Zinc Anodes","volume":"63","author":"Zhang","year":"2024","journal-title":"Angew. Chem. Int. Ed."},{"key":"ref_11","doi-asserted-by":"crossref","first-page":"108","DOI":"10.1002\/cnl2.109","article-title":"Challenges and protective strategies on zinc anode toward practical aqueous zinc-ion batteries","volume":"3","author":"Zhang","year":"2024","journal-title":"Carbon Neutralization"},{"key":"ref_12","doi-asserted-by":"crossref","first-page":"12894","DOI":"10.1021\/jacs.6b05958","article-title":"Cation-deficient spinel ZnMn2O4 cathode in Zn(CF3SO3)2 electrolyte for rechargeable aqueous zn-ion battery","volume":"138","author":"Liu","year":"2016","journal-title":"J. Am. Chem. Soc."},{"key":"ref_13","doi-asserted-by":"crossref","first-page":"2001854","DOI":"10.1002\/adma.202001854","article-title":"Dendrites in Zn-based batteries","volume":"32","author":"Yang","year":"2020","journal-title":"Adv. Mater."},{"key":"ref_14","doi-asserted-by":"crossref","first-page":"20220029","DOI":"10.1002\/bte2.20220029","article-title":"Electrolyte engineering strategies for regulation of the Zn metal anode in aqueous Zn-ion batteries","volume":"2","author":"Li","year":"2023","journal-title":"Battery Energy"},{"key":"ref_15","doi-asserted-by":"crossref","first-page":"111","DOI":"10.1007\/s40820-024-01337-0","article-title":"Fundamental Understanding of Hydrogen Evolution Reaction on Zinc Anode Surface: A First-Principles study","volume":"16","author":"Liu","year":"2024","journal-title":"Nano-Micro Lett."},{"key":"ref_16","doi-asserted-by":"crossref","first-page":"1801090","DOI":"10.1002\/aenm.201801090","article-title":"Nanoporous CaCO3 coatings enabled uniform Zn stripping\/plating for long-life zinc rechargeable aqueous batteries","volume":"8","author":"Kang","year":"2018","journal-title":"Adv. Energy Mater."},{"key":"ref_17","doi-asserted-by":"crossref","first-page":"2100982","DOI":"10.1002\/aenm.202100982","article-title":"Ultrahigh-rate and long-life zinc-metal anodes enabled by self-accelerated cation migration","volume":"11","author":"Zou","year":"2021","journal-title":"Adv. Energy Mater."},{"key":"ref_18","doi-asserted-by":"crossref","first-page":"35613","DOI":"10.1021\/acsami.2c07551","article-title":"Designing a bimodal BaTiO3 artificial layer to boost the dielectric effect toward highly reversible dendrite-free Zn metal anodes","volume":"14","author":"Bissannagari","year":"2022","journal-title":"ACS Appl. Mater. Interfaces"},{"key":"ref_19","doi-asserted-by":"crossref","first-page":"2886","DOI":"10.1021\/acsenergylett.3c01017","article-title":"Dendrite-free and highly stable zn metal anode with BaTiO3\/P(VDF-TrFE) coating","volume":"8","author":"Zong","year":"2023","journal-title":"ACS Energy Lett."},{"key":"ref_20","doi-asserted-by":"crossref","first-page":"2112936","DOI":"10.1002\/adfm.202112936","article-title":"Novel concept of separator design: Efficient ions transport modulator enabled by dual-interface engineering toward ultra-stable Zn metal anodes","volume":"32","author":"Liang","year":"2022","journal-title":"Adv. Funct. Mater."},{"key":"ref_21","doi-asserted-by":"crossref","first-page":"79","DOI":"10.1007\/s40820-021-00599-2","article-title":"Regulating Zn deposition via an artificial solid\u2013electrolyte interface with aligned dipoles for long life Zn anode","volume":"13","author":"Wu","year":"2021","journal-title":"Nano-Micro Lett."},{"key":"ref_22","doi-asserted-by":"crossref","first-page":"3161","DOI":"10.1021\/acsnano.0c09745","article-title":"Dynamic regulation of lithium dendrite growth with electromechanical coupling effect of soft BaTiO3 ceramic nanofiber films","volume":"15","author":"Xia","year":"2021","journal-title":"ACS Nano"},{"key":"ref_23","doi-asserted-by":"crossref","first-page":"6343","DOI":"10.1021\/jp0658997","article-title":"First-principles investigation of stability and structural properties of the BaTiO3 (110) polar surface","volume":"111","author":"Xie","year":"2007","journal-title":"J. Phys. Chem. C"},{"key":"ref_24","doi-asserted-by":"crossref","first-page":"14251","DOI":"10.1103\/PhysRevB.49.14251","article-title":"Ab initio molecular-dynamics simulation of the liquid-metal-amorphous-semiconductor transition in germanium","volume":"49","author":"Kresse","year":"1994","journal-title":"Phys. Rev. B"},{"key":"ref_25","doi-asserted-by":"crossref","first-page":"11169","DOI":"10.1103\/PhysRevB.54.11169","article-title":"Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set","volume":"54","author":"Kresse","year":"1994","journal-title":"Phys. Rev. B"},{"key":"ref_26","doi-asserted-by":"crossref","first-page":"17953","DOI":"10.1103\/PhysRevB.50.17953","article-title":"Projector augmented-wave method","volume":"50","author":"Blochl","year":"1994","journal-title":"Phys. Rev. B"},{"key":"ref_27","doi-asserted-by":"crossref","first-page":"3865","DOI":"10.1103\/PhysRevLett.77.3865","article-title":"Generalized gradient approximation made simple","volume":"77","author":"Perdew","year":"1996","journal-title":"Phys. Rev. Lett."},{"key":"ref_28","doi-asserted-by":"crossref","first-page":"13089","DOI":"10.1039\/C7NR03889E","article-title":"Shape control in concave metal nanoparticles by etching","volume":"9","author":"Li","year":"2017","journal-title":"Nanoscale"},{"key":"ref_29","doi-asserted-by":"crossref","first-page":"221","DOI":"10.1016\/j.jpowsour.2016.01.078","article-title":"Connecting the irreversible capacity loss in Li-ion batteries with the electronic insulating properties of solid electrolyte interphase (SEI) components","volume":"309","author":"Lin","year":"2016","journal-title":"J. Power Sources"},{"key":"ref_30","doi-asserted-by":"crossref","first-page":"A592","DOI":"10.1149\/2.0151605jes","article-title":"Interfacial study on solid electrolyte interphase at li metal anode: Implication for Li dendrite growth","volume":"163","author":"Liu","year":"2016","journal-title":"J. Electrochem. Soc."},{"key":"ref_31","doi-asserted-by":"crossref","first-page":"134116","DOI":"10.1103\/PhysRevB.91.134116","article-title":"General method to predict voltage-dependent ionic conduction in a solid electrolyte coating on electrodes","volume":"91","author":"Pan","year":"2016","journal-title":"Phys. Rev. B"},{"key":"ref_32","doi-asserted-by":"crossref","first-page":"110010","DOI":"10.1016\/j.commatsci.2020.110010","article-title":"An automated cluster surface scanning method for exploring reaction paths on metal-cluster surfaces","volume":"186","author":"Tacey","year":"2021","journal-title":"Comput. Mater. Sci."}],"container-title":["International Journal of Molecular Sciences"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.mdpi.com\/1422-0067\/25\/20\/11172\/pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,10,10]],"date-time":"2025-10-10T16:15:21Z","timestamp":1760112921000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.mdpi.com\/1422-0067\/25\/20\/11172"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2024,10,17]]},"references-count":32,"journal-issue":{"issue":"20","published-online":{"date-parts":[[2024,10]]}},"alternative-id":["ijms252011172"],"URL":"https:\/\/doi.org\/10.3390\/ijms252011172","relation":{},"ISSN":["1422-0067"],"issn-type":[{"value":"1422-0067","type":"electronic"}],"subject":[],"published":{"date-parts":[[2024,10,17]]}}}