Ab initio study of intrinsic point defects in germanium sulfide

Mishra, Neeraj; Makov, Guy

doi:10.1016/j.jallcom.2022.165389

Cited by 4 publications

(3 citation statements)

References 47 publications

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“…Specifically, the presence of germanium (Ge) vacancy defects is identified as a pivotal factor determining conductivity. These vacancies create shallow acceptor-like levels within the material, intrinsically establishing the p-type conductivity observed in GeS in our work and on works from other groups (see, e.g.,).…”

Section: Resultsmentioning

confidence: 99%

Scanning Tunneling Spectroscopy Method for the Prediction of Semiconductor Heterojunction Performance as a Prequel for Device Development

Ribeiro,

Fonseca,

Barreto

et al. 2023

ACS Appl. Mater. Interfaces

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The prediction of semiconductor device performance is a persistent challenge in materials science, and the ability to anticipate useful specifications prior to construction is crucial for enhancing the overall efficiency. In this study, we investigate the constituents of a solar cell by employing scanning tunneling microscopy (STM) and spectroscopy (STS). Through our observations, we identify a spatial distribution of the dopant type in thin films of materials that were designed to present major p-doping for germanium sulfide (GeS) and dominant n-doping for tin disulfide (SnS 2 ). By generating separate STS maps for each semiconductor film and conducting a statistical analysis of the gap and doping distribution, we determine intrinsic limitations for the solar cell efficiency that must be understood prior to processing. Subsequently, we fabricate a solar cell utilizing these materials (GeS and SnS 2 ) via vapor phase deposition and carry out a characterization using standard J−V curves under both dark/illuminated irradiance conditions. Our devices corroborate the expected reduced efficiency due to doping fluctuation but exhibit stable photocurrent responses. As originally planned, quantum efficiency measurements reveal that the peak efficiency of our solar cell coincides with the range where the standard silicon solar cells sharply decline. Our STS method is suggested as a prequel to device development in novel material junctions or deposition processes where fluctuations of doping levels are retrieved due to intrinsic material characteristics such as the occurrence of defects, roughness, local chemical segregation, and faceting or step bunching.

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Section: Resultsmentioning

confidence: 99%

Scanning Tunneling Spectroscopy Method for the Prediction of Semiconductor Heterojunction Performance as a Prequel for Device Development

Ribeiro,

Fonseca,

Barreto

et al. 2023

ACS Appl. Mater. Interfaces

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“…Makov et al investigated the properties of intrinsic point defects in bulk GeS under various compositional conditions. [ 44 ] Authors demonstrated that 1) V Ge showed the most stable defects regardless of Ge contents, 2) V Ge defects were formed spontaneously due to negative formation energies resulting in the Fermi level shifted below VBM, and 3) V Se were occupied with the defect states and hybridized with VBM. Very recently, Ke et al [ 45 ] revealed that the low formation energy for V Ge defect migration was originated to the antibonding coupling of the lone‐pair Ge 4 s and Se 4 p states near VBM.…”

Section: Fundamental Properties and Theoretical Studies Of Gesementioning

confidence: 99%

Germanium Selenide: A Critical Review on Recent Advances in Material Development for Photovoltaic and Photoelectrochemical Water‐Splitting Applications

Kamble,

Shin,

Park

et al. 2023

Solar RRL

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Germanium selenide (GeSe), a new 2D semiconductor material, is an attractive material due to its excellent optoelectronic properties, which hold tremendous promise in a wide range of applications, including thin‐film solar cells (TFSCs) and photoelectrochemical (PEC) water splitting. Several attempts have been made to date in theoretical studies, high‐quality GeSe material synthesis, evaluating absorber properties, and developing efficient TFSCs and PEC devices. Using existing device topologies for chalcogenide materials, TFSCs with 5.2% efficiency and a PEC device with 3.17% solar‐to‐hydrogen efficiency have been recently developed. To enable its potential in high performances of TFSCs and PEC devices for future large‐scale applications, further improvement in materials quality, device design, and development is required. In this regard, this review provides a comprehensive overview of current advances made in GeSe material development and applications in TFSCs and PEC devices. First, the fundamental properties of GeSe material, theoretical studies, as well as in‐depth synthesis methods, are outlined. Then, key developments in GeSe‐based TFSCs and PEC devices are discussed with an emphasis on device designs. Finally, the most prominent impediments to a fundamental understanding of materials are highlighted, and perspectives on future research directions for improving material quality and device efficiency are provided.

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“…GeS is a p-type semiconductor that is stacked together through van der Waals interactions and has a direct band gap of 1.65 eV in the bulk visible region. In a single layer, it has an indirect band gap of 2.34 eV and an electron mobility of 3680 cm 2 /(V s) .…”

Section: Introductionmentioning

confidence: 99%

Germanium and Tin Precursors for Chalcogenide Materials Containing N-Alkoxy Thioamide Ligands

Choi,

Song,

Park

et al. 2024

ACS Omega

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Ab initio study of intrinsic point defects in germanium sulfide

Cited by 4 publications

References 47 publications

Scanning Tunneling Spectroscopy Method for the Prediction of Semiconductor Heterojunction Performance as a Prequel for Device Development

Scanning Tunneling Spectroscopy Method for the Prediction of Semiconductor Heterojunction Performance as a Prequel for Device Development

Germanium Selenide: A Critical Review on Recent Advances in Material Development for Photovoltaic and Photoelectrochemical Water‐Splitting Applications

Germanium and Tin Precursors for Chalcogenide Materials Containing N-Alkoxy Thioamide Ligands

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