ArticleAngewandte Chemie (International ed. in English)2023
Structure and Bonding in Amorphous Red Phosphorus.
Article in Angewandte Chemie (International ed. in English), 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 8 papers.
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Who cites it
8 citing papers in PubMed.
- Overcoming redox barriers in black phosphorus negative electrodes through lattice P-N engineering for fast-charging Li-ion batteries.Nature communications · 2026Article
- Medium-Range Structural Order in Amorphous Arsenic.Journal of the American Chemical Society · 2026Article
- The Zintl-Klemm Concept in the Amorphous State: A Case Study of Na-P Battery Anodes.Angewandte Chemie (International ed. in English) · 2026Article
- Toward a thermodynamic stability order of the phosphorus allotropes.RSC advances · 2025Article
- Phase-selective synthesis and polymorphic transformation of crystalline red phosphorus.Nature communications · 2025Article
- Catalytic Nitrous Oxide Degradation with Group 15 Clusters.Journal of the American Chemical Society · 2025Article
- Transforming carbon dioxide into a methanol surrogate using modular transition metal-free Zintl ions.Nature communications · 2024Article
- Structure and Bonding in Amorphous Red Phosphorus.Angewandte Chemie (International ed. in English) · 2023Article
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Authors and funding
3 authors.
Funding
Abstract
Amorphous red phosphorus (a-P) is one of the remaining puzzling cases in the structural chemistry of the elements. Here, we elucidate the structure, stability, and chemical bonding in a-P from first principles, combining machine-learning and density-functional theory (DFT) methods. We show that a-P structures exist with a range of energies slightly higher than those of phosphorus nanorods, to which they are closely related, and that the stability of a-P is linked to the degree of structural relaxation and medium-range order. We thus complete the stability range of phosphorus allotropes [Angew. Chem. Int. Ed. 2014, 53, 11629] by now including the previously poorly understood amorphous phase, and we quantify the covalent and van der Waals interactions in all main phases of phosphorus. We also study the electronic densities of states, including those of hydrogenated a-P. Beyond the present study, our structural models are expected to enable wider-ranging first-principles investigations-for example, of a-P-based battery materials.
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