{"title":"离子交换法获得的 MoO3 带隙值和结构变化","authors":"P.H. Silva, D.T. Cestarolli, E.M. Guerra","doi":"10.1016/j.optmat.2025.117063","DOIUrl":null,"url":null,"abstract":"<div><div>In this work we present a study of a new synthesis for molybdenum oxide (MoO<sub>3</sub>) produced by an ion-exchange method in the sol-gel route as well as its structural characterization. Subsequently, the influences of this new synthesis under the structure and, consequently, its optical properties have been examined. Different pH and concentration values were used: pH = 2, 4 and 5; and concentrations: 0.05, 0.10, 0.20, 0.30, 0.40 and 0.50 mol L<sup>−1</sup>. From the X-ray diffraction profiles, the presence of two polymorphic phases of MoO<sub>3</sub> were observed: the stable phase <em>α</em>-MoO<sub>3</sub> in its orthorhombic form and the metastable phase <em>h</em>-MoO<sub>3</sub> which corresponds to its hexagonal structure. In the spectroscopic investigation, by adopting Tauc's plot, the optical band gap energies of MoO<sub>3</sub> are estimated. The band gap widening from 2.58 to 3.99 eV, which were useful in the energetic evaluation of electron transfer between the conduction and valence bands between oxygen and molybdenum, also confirms the effect of structure variation, further confirming the effect of the structural variations induced by the new synthesis method in different conditions.</div></div>","PeriodicalId":19564,"journal":{"name":"Optical Materials","volume":"164 ","pages":"Article 117063"},"PeriodicalIF":3.8000,"publicationDate":"2025-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Band gap values and structural changes on MoO3 obtained by ion-exchange method\",\"authors\":\"P.H. Silva, D.T. Cestarolli, E.M. Guerra\",\"doi\":\"10.1016/j.optmat.2025.117063\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>In this work we present a study of a new synthesis for molybdenum oxide (MoO<sub>3</sub>) produced by an ion-exchange method in the sol-gel route as well as its structural characterization. Subsequently, the influences of this new synthesis under the structure and, consequently, its optical properties have been examined. Different pH and concentration values were used: pH = 2, 4 and 5; and concentrations: 0.05, 0.10, 0.20, 0.30, 0.40 and 0.50 mol L<sup>−1</sup>. From the X-ray diffraction profiles, the presence of two polymorphic phases of MoO<sub>3</sub> were observed: the stable phase <em>α</em>-MoO<sub>3</sub> in its orthorhombic form and the metastable phase <em>h</em>-MoO<sub>3</sub> which corresponds to its hexagonal structure. In the spectroscopic investigation, by adopting Tauc's plot, the optical band gap energies of MoO<sub>3</sub> are estimated. The band gap widening from 2.58 to 3.99 eV, which were useful in the energetic evaluation of electron transfer between the conduction and valence bands between oxygen and molybdenum, also confirms the effect of structure variation, further confirming the effect of the structural variations induced by the new synthesis method in different conditions.</div></div>\",\"PeriodicalId\":19564,\"journal\":{\"name\":\"Optical Materials\",\"volume\":\"164 \",\"pages\":\"Article 117063\"},\"PeriodicalIF\":3.8000,\"publicationDate\":\"2025-04-17\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Optical Materials\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0925346725004239\",\"RegionNum\":3,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"MATERIALS SCIENCE, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Optical Materials","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0925346725004239","RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
Band gap values and structural changes on MoO3 obtained by ion-exchange method
In this work we present a study of a new synthesis for molybdenum oxide (MoO3) produced by an ion-exchange method in the sol-gel route as well as its structural characterization. Subsequently, the influences of this new synthesis under the structure and, consequently, its optical properties have been examined. Different pH and concentration values were used: pH = 2, 4 and 5; and concentrations: 0.05, 0.10, 0.20, 0.30, 0.40 and 0.50 mol L−1. From the X-ray diffraction profiles, the presence of two polymorphic phases of MoO3 were observed: the stable phase α-MoO3 in its orthorhombic form and the metastable phase h-MoO3 which corresponds to its hexagonal structure. In the spectroscopic investigation, by adopting Tauc's plot, the optical band gap energies of MoO3 are estimated. The band gap widening from 2.58 to 3.99 eV, which were useful in the energetic evaluation of electron transfer between the conduction and valence bands between oxygen and molybdenum, also confirms the effect of structure variation, further confirming the effect of the structural variations induced by the new synthesis method in different conditions.
期刊介绍:
Optical Materials has an open access mirror journal Optical Materials: X, sharing the same aims and scope, editorial team, submission system and rigorous peer review.
The purpose of Optical Materials is to provide a means of communication and technology transfer between researchers who are interested in materials for potential device applications. The journal publishes original papers and review articles on the design, synthesis, characterisation and applications of optical materials.
OPTICAL MATERIALS focuses on:
• Optical Properties of Material Systems;
• The Materials Aspects of Optical Phenomena;
• The Materials Aspects of Devices and Applications.
Authors can submit separate research elements describing their data to Data in Brief and methods to Methods X.