{"title":"Peierls Distortion and Electronic Property Modulation in 2D Metal Chalcogenides via Ternary Alloying of TiS3 and NbS3 Nanobelts","authors":"Edwin J. Miller, Ann Baac, Luisa Whittaker-Brooks","doi":"10.1021/acs.chemmater.4c03415","DOIUrl":null,"url":null,"abstract":"Ternary alloying has proven to be an effective method for inducing significant changes in the structural and electronic properties of archetypal 2D metal chalcogenides. In this study, monoclinic TiS<sub>3</sub> and triclinic NbS<sub>3</sub> were alloyed with Nb (in TiS<sub>3</sub>) and Ti (in NbS<sub>3</sub>) to form ternary alloys, resulting in spectroscopically detectable structural modifications. This process not only increases the number of majority charge carriers in both TiS<sub>3</sub> and NbS<sub>3</sub> frameworks but also enhances the presence of unpaired d electrons in both compounds. These effects are attributed to the population of the 3d band in TiS<sub>3</sub> and the depopulation of the Peierls-distorted d<sub><i>z</i></sub><sup>2</sup> orbital in NbS<sub>3</sub>.","PeriodicalId":33,"journal":{"name":"Chemistry of Materials","volume":"35 1","pages":""},"PeriodicalIF":7.0000,"publicationDate":"2025-04-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemistry of Materials","FirstCategoryId":"88","ListUrlMain":"https://doi.org/10.1021/acs.chemmater.4c03415","RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
Abstract
Ternary alloying has proven to be an effective method for inducing significant changes in the structural and electronic properties of archetypal 2D metal chalcogenides. In this study, monoclinic TiS3 and triclinic NbS3 were alloyed with Nb (in TiS3) and Ti (in NbS3) to form ternary alloys, resulting in spectroscopically detectable structural modifications. This process not only increases the number of majority charge carriers in both TiS3 and NbS3 frameworks but also enhances the presence of unpaired d electrons in both compounds. These effects are attributed to the population of the 3d band in TiS3 and the depopulation of the Peierls-distorted dz2 orbital in NbS3.
期刊介绍：
The journal Chemistry of Materials focuses on publishing original research at the intersection of materials science and chemistry. The studies published in the journal involve chemistry as a prominent component and explore topics such as the design, synthesis, characterization, processing, understanding, and application of functional or potentially functional materials. The journal covers various areas of interest, including inorganic and organic solid-state chemistry, nanomaterials, biomaterials, thin films and polymers, and composite/hybrid materials. The journal particularly seeks papers that highlight the creation or development of innovative materials with novel optical, electrical, magnetic, catalytic, or mechanical properties. It is essential that manuscripts on these topics have a primary focus on the chemistry of materials and represent a significant advancement compared to prior research. Before external reviews are sought, submitted manuscripts undergo a review process by a minimum of two editors to ensure their appropriateness for the journal and the presence of sufficient evidence of a significant advance that will be of broad interest to the materials chemistry community.
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