Z-scheme heterostructures of 2D SnC/Sc2CCl2 for overall water splitting with strong redox potential driven by visible light

IF 2.9 3区化学 Q3 CHEMISTRY, PHYSICAL

Physical Chemistry Chemical Physics Pub Date : 2025-03-06 DOI:10.1039/d5cp00143a

Xingyong Huang, Mingjie Wan, Qi-Long Cao, Hai-Zhi Song, Ming Yang

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引用次数: 0

Abstract

The two-dimensional (2D) Z-scheme system is an effective design for producing hydrogen via photocatalytic water splitting (PWS). This study established a 2D van der Waals (vdW) SnC/Sc₂CCl₂ heterojunction for PWS. The electronic and optical performance of the designed heterojunction was calculated using the first principles, showing that the heterojunction acting as a Z-scheme photocatalyst (ZSP) formed an induced internal electric field to achieve effective electron-hole separation. The strong redox ability (~1.5 eV) and moderate energy barrier of the SnC/Sc₂CCl₂ heterojunction further enabled efficient PWS. Moreover, the PWS process benefited from the heterojunction’s favorable absorption coefficient (10⁵ cm^-1) and solar-to-hydrogen conversion efficiency (21.36%) in visible light. The proposed Z-scheme SnC/Sc₂CCl₂ heterojunction is a promising candidate in photocatalytic overall water splitting (POWS) within a pH range of 0–14.

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来源期刊

Physical Chemistry Chemical Physics 化学-物理：原子、分子和化学物理

CiteScore

5.50

自引率

9.10%

发文量

2675

审稿时长

2.0 months

期刊介绍： 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.