{"title":"探索方形-八角形晶格的电子特性和量子电容,以实现先进的电子和储能应用","authors":"Erfan Norian, Mona Abdi, Bandar Astinchap","doi":"10.1039/d5cp00722d","DOIUrl":null,"url":null,"abstract":"This study investigates the square-octagon lattice electronic properties and quantum capacitance under various external parameters, including hopping amplitudes, magnetic flux, and on-site Coulomb repulsion (OSCRI) by using the Hubbard model (HM) and Green function. The analysis reveals that the lattice can exhibit tunable electronic behaviors, transitioning between semiconducting, metallic, and insulating states by adjusting the hopping parameter ratio t2/t1. Specifically, for t2=t1 and t2=3t1, the material remains semiconducting, while for t2=2t1, it behaves as a metal. The application of magnetic flux reduces the band gap for t2=t1 and t2=3t1 while increasing it for t2=2t1. Magnetic flux also shifts the flat band’s position in all cases. Additionally, increasing the OSCRI (from 0.5 eV to 1.5 eV) leads to energy level splitting, breaking the symmetry of degenerate states, and widening the band gap. The quantum capacitance is strongly influenced by these parameters, with the peak intensity decreasing with increasing magnetic flux and shifting toward negative gate potentials. The results highlight the square-octagon lattice tunability in both electronic states and charge storage capabilities, making it a promising candidate for applications in nanoelectronics and energy storage devices where precise control over electronic properties is essential.","PeriodicalId":99,"journal":{"name":"Physical Chemistry Chemical Physics","volume":"51 1","pages":""},"PeriodicalIF":2.9000,"publicationDate":"2025-04-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Exploring the Electronic Properties and Quantum Capacitance of the Square-Octagon Lattice for Advanced Electronic and Energy Storage Applications\",\"authors\":\"Erfan Norian, Mona Abdi, Bandar Astinchap\",\"doi\":\"10.1039/d5cp00722d\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"This study investigates the square-octagon lattice electronic properties and quantum capacitance under various external parameters, including hopping amplitudes, magnetic flux, and on-site Coulomb repulsion (OSCRI) by using the Hubbard model (HM) and Green function. The analysis reveals that the lattice can exhibit tunable electronic behaviors, transitioning between semiconducting, metallic, and insulating states by adjusting the hopping parameter ratio t2/t1. Specifically, for t2=t1 and t2=3t1, the material remains semiconducting, while for t2=2t1, it behaves as a metal. The application of magnetic flux reduces the band gap for t2=t1 and t2=3t1 while increasing it for t2=2t1. Magnetic flux also shifts the flat band’s position in all cases. Additionally, increasing the OSCRI (from 0.5 eV to 1.5 eV) leads to energy level splitting, breaking the symmetry of degenerate states, and widening the band gap. The quantum capacitance is strongly influenced by these parameters, with the peak intensity decreasing with increasing magnetic flux and shifting toward negative gate potentials. The results highlight the square-octagon lattice tunability in both electronic states and charge storage capabilities, making it a promising candidate for applications in nanoelectronics and energy storage devices where precise control over electronic properties is essential.\",\"PeriodicalId\":99,\"journal\":{\"name\":\"Physical Chemistry Chemical Physics\",\"volume\":\"51 1\",\"pages\":\"\"},\"PeriodicalIF\":2.9000,\"publicationDate\":\"2025-04-22\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Physical Chemistry Chemical Physics\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1039/d5cp00722d\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Physical Chemistry Chemical Physics","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1039/d5cp00722d","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
Exploring the Electronic Properties and Quantum Capacitance of the Square-Octagon Lattice for Advanced Electronic and Energy Storage Applications
This study investigates the square-octagon lattice electronic properties and quantum capacitance under various external parameters, including hopping amplitudes, magnetic flux, and on-site Coulomb repulsion (OSCRI) by using the Hubbard model (HM) and Green function. The analysis reveals that the lattice can exhibit tunable electronic behaviors, transitioning between semiconducting, metallic, and insulating states by adjusting the hopping parameter ratio t2/t1. Specifically, for t2=t1 and t2=3t1, the material remains semiconducting, while for t2=2t1, it behaves as a metal. The application of magnetic flux reduces the band gap for t2=t1 and t2=3t1 while increasing it for t2=2t1. Magnetic flux also shifts the flat band’s position in all cases. Additionally, increasing the OSCRI (from 0.5 eV to 1.5 eV) leads to energy level splitting, breaking the symmetry of degenerate states, and widening the band gap. The quantum capacitance is strongly influenced by these parameters, with the peak intensity decreasing with increasing magnetic flux and shifting toward negative gate potentials. The results highlight the square-octagon lattice tunability in both electronic states and charge storage capabilities, making it a promising candidate for applications in nanoelectronics and energy storage devices where precise control over electronic properties is essential.
期刊介绍:
Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions.
The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.