Layer-dependent electronic and optical properties of tin monoxide: a potential candidate in photovoltaic applications

文献信息

发布日期 2022-03-10
DOI 10.1039/D1CP05305A
影响因子 3.676
作者

Li Wanzhong, Sun Jian, Deng Chong


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摘要

Tunable band gaps make two-dimensional (2D) SnO a promising candidate for a wide variety of applications in optoelectronic devices. In this work, we calculated the structural, electronic, and optical properties of monolayer and mutilayer SnO up to seven layers based on density functional theory. We found that the band gaps of SnO can vary from 0.61 eV to 4.05 eV as the layer number of SnO decreases from seven to one, which is mainly because of the interlayer coupling effect. The interlayer coupling ensures improved carrier transport properties between neighbouring layers, which can benefit the performance of 2D SnO in photovoltaic applications. In particular, a suitable band gap of 1.20 eV for solar cell applications is obtained in trilayer SnO, and the predicted theoretical efficiency of solar cells with trilayer SnO as the active material achieves a high value exceeding 16%, which is relatively high for 2D materials.

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来源期刊

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
自引率: 10.3%
年发文量: 3036

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.

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