Lone-pair-induced formation of intrinsic one-dimensional SbSX (X = Cl, Br, I) helix chain materials

Literature Information

Publication Date 2023-10-27
DOI 10.1039/D3CP00061C
Impact Factor 3.676
Authors

Cong Hu


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Abstract

Intrinsic one-dimensional (1D) helix chain materials are extremely rare in inorganic chemistry due to their novel structural features and complex syntheses. Herein, we report a class of inborn 1D helix chains, namely 1D SbSX (X = Cl, Br, I), that can exist stably. Through ab initio calculations, we demonstrate that the formation of this helical feature is facilitated by the lone pairs in antimony atoms. Owing to the different chemical bonds induced by the lone pairs, a phase transition between different helix chain phases can occur by applying extra elongation strain. More importantly, 1D SbSX helix chains possess superior flexibility. Under large elongation strains, the elastic energy is stored via bond angle redistributions, while the average bond lengths can remain invariant. Our work not only enriches the family of intrinsic 1D helical materials, but also provides a novel avenue for the diversification of low-dimensional phase change and flexible materials.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 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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