Single-molecule device: Sn-phthalocyanine on an in-plane hBN-graphene heterostructure

IF 31.6 1区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Materials Science and Engineering: R: Reports Pub Date : 2025-04-01 Epub Date: 2025-01-30 DOI:10.1016/j.mser.2025.100930
Mohammed Ghadiyali , Shubham Tyagi , Udo Schwingenschlögl
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Abstract

Single-molecule devices can reach the physical limits of miniaturization and data storage density. Employing first-principles calculations and the non-equilibrium Green’s function method, we investigate Sn-phthalocyanine (SnPc) on an in-plane hBN-graphene heterostructure. The Sn atom can protrude to both sides of Pc (away from and toward the in-plane hBN-graphene heterostructure) and transformation between these two states is possible by means of the tip of a scanning tunneling microscope. We find that the difference in conductance between the two states provides an excellent switching ratio, which can be further enhanced by application of an in-plane bias and by gating.
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单分子器件:平面内hbn -石墨烯异质结构上的sn -酞菁
单分子器件可以达到小型化和数据存储密度的物理极限。利用第一性原理计算和非平衡格林函数方法,我们研究了平面内hbn -石墨烯异质结构上的sn -酞菁(SnPc)。Sn原子可以向Pc的两侧突出(远离或朝向面内hbn -石墨烯异质结构),通过扫描隧道显微镜的尖端可以实现这两种状态之间的转换。我们发现两种状态之间的电导差异提供了一个很好的开关比,可以通过应用面内偏置和门控进一步提高。
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来源期刊
Materials Science and Engineering: R: Reports
Materials Science and Engineering: R: Reports 工程技术-材料科学:综合
CiteScore
60.50
自引率
0.30%
发文量
19
审稿时长
34 days
期刊介绍: Materials Science & Engineering R: Reports is a journal that covers a wide range of topics in the field of materials science and engineering. It publishes both experimental and theoretical research papers, providing background information and critical assessments on various topics. The journal aims to publish high-quality and novel research papers and reviews. The subject areas covered by the journal include Materials Science (General), Electronic Materials, Optical Materials, and Magnetic Materials. In addition to regular issues, the journal also publishes special issues on key themes in the field of materials science, including Energy Materials, Materials for Health, Materials Discovery, Innovation for High Value Manufacturing, and Sustainable Materials development.
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