University of Oulu

Fernández-Catalá, J., Kistanov, A.A., Bai, Y. et al. Theoretical prediction and shape-controlled synthesis of two-dimensional semiconductive Ni3TeO6. npj 2D Mater Appl 7, 48 (2023).

Theoretical prediction and shape-controlled synthesis of two-dimensional semiconductive Ni₃TeO₆

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Author: Fernández-Catalá, Javier1; Kistanov, Andrey A.1; Bai, Yang2;
Organizations: 1Nano and Molecular Systems Research Unit, University of Oulu, Oulu, FIN-90014, Finland
2Microelectronics Research Unit, Faculty of Information Technology and Electrical Engineering, University of Oulu, FI-90570, Oulu, Finland
Format: article
Version: published version
Access: open
Online Access: PDF Full Text (PDF, 1.7 MB)
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Language: English
Published: Springer Nature, 2023
Publish Date: 2023-08-01


Current progress in two-dimensional (2D) materials explorations leads to constant specie enrichments of possible advanced materials down to two dimensions. The metal chalcogenide-based 2D materials are promising grounds where many adjacent territories are waiting to be explored. Here, a stable monolayer Ni₃TeO₆ (NTO) structure was computationally predicted and its stacked 2D nanosheets experimentally synthesized. Theoretical design undergoes featuring coordination of metalloid chalcogen, slicing the bulk structure, geometrical optimizations and stability study. The predicted layered NTO structure is realized in nanometer-thick nanosheets via a one-pot shape-controlled hydrothermal synthesis. Compared to the bulk, the 2D NTO own a lowered bandgap energy, more sensitive wavelength selectivity and an emerging photocatalytic hydrogen evolution ability under visible light. Beside a new 2D NTO with the optoelectrical and photocatalytic merits, its existing polar space group, structural specification, and design route are hoped to benefit 2D semiconductor innovations both in species enrichment and future applications.

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Series: npj 2D materials and applications
ISSN: 2397-7132
ISSN-E: 2397-7132
ISSN-L: 2397-7132
Volume: 7
Issue: 1
Article number: 48
DOI: 10.1038/s41699-023-00412-1
Type of Publication: A1 Journal article – refereed
Field of Science: 216 Materials engineering
Funding: This project has received funding from the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreement No. 101002219). H. S. thanks financial supports from University of Oulu. Y.B. acknowledge financial support from the European Research Council (ERC) under the ERC Starting Grant (agreement number 101039110).
EU Grant Number: (101002219) CATCH - Cross-dimensional Activation of Two-Dimensional Semiconductors for Photocatalytic Heterojunctions
(101039110) UNIFY - Hybrid piezoelectric–photovoltaic components pave the way for miniaturisation of IoT devices
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