Defect engineering in layered MPS3 (M: Fe, Co, and Ni) materials probed by in situ X-ray spectroscopy

Guo, Yefei; Jin, Yichen; Guan, Sujun; Voloshina, Elena; Dedkov, Yuriy (2026) Defect engineering in layered MPS3 (M: Fe, Co, and Ni) materials probed by in situ X-ray spectroscopy. Surfaces and Interfaces, 98 . ISSN 2468-0230

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Official URL: http://doi.org/10.1016/j.surfin.2026.110508

Abstract

We systematically investigated the defect-induced electronic structure changes in van der Waals MPS3 (M: Fe, Co, and Ni) layered materials under Ar+ -ion sputtering using in situ X-ray photoelectron and near-edge X-ray absorption fine structure spectroscopy (XPS and NEXAFS). It is found that Ar+ -ion sputtering preferentially modifies the exterior P-S network of MPS3, leading to the emergence of defect-related components and surface disorder, while the transition-metal centers exhibit element-dependent stability. The M 2p XPS spectra of FePS3 and NiPS3 largely retain their characteristic multiplet features, whereas for CoPS3 a clear reduction and disappearance of satellite intensity is observed. NEXAFS spectroscopy further confirms sputtering-induced weakening of local coordination and partial amorphization of MPS3 materials. Our results provide a consistent picture of how Ar+ -ion induced defects reshape the near-surface electronic structure of MPS3 materials and establish a spectroscopic basis for future studies of defect-dependent functionality.

Item Type:

Article

Uncontrolled Keywords:

Van der Waals materials; MPS3; XPS; NEXAFS; Ion sputtering

Subjects:

NATURAL SCIENCES > Physics > Condensed Matter Physics

Divisions:

Theoretical Physics Division

Projects: