ArticleNature communications2024
High-throughput computational stacking reveals emergent properties in natural van der Waals bilayers.
Article in Nature communications, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers.
What it found
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Who cites it
11 citing papers in PubMed.
- Hierarchical generative modeling for the design of multi-component systems.Journal of cheminformatics · 2026Article
- 2D Transition Metal Carbo-Chalcogenides: An Emerging Family of Layered Materials.Chemphyschem : a European journal of chemical physics and physical chemistry · 2026Review
- Article
- Stabilization of sliding ferroelectricity through exciton condensation.Nature communications · 2026Article
- Article
- Deep learning methods for 2D material electronic properties.Digital discovery · 2026Review
- Synergistic Spin-Polarization and Single-Atom Engineering in Magnetic Heterojunctions for Efficient Solar Water Splitting.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2026Article
- Auto-resolving the atomic structure at van der Waals interfaces using a generative model.Nature communications · 2025Article
- High-purity and stable single-photon emission in bilayer WSeCommunications physics · 2025Article
- Effect of Hubbard U-corrections on the electronic and magnetic properties of 2D materials: a high-throughput study.npj computational materials · 2025Article
- Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange.Digital discovery · 2024Article
Corrections and comments
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Authors and funding
6 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Stacking of two-dimensional (2D) materials has emerged as a facile strategy for realising exotic quantum states of matter and engineering electronic properties. Yet, developments beyond the proof-of-principle level are impeded by the vast size of the configuration space defined by layer combinations and stacking orders. Here we employ a density functional theory (DFT) workflow to calculate interlayer binding energies of 8451 homobilayers created by stacking 1052 different monolayers in various configurations. Analysis of the stacking orders in 247 experimentally known van der Waals crystals is used to validate the workflow and determine the criteria for realisable bilayers. For the 2586 most stable bilayer systems, we calculate a range of electronic, magnetic, and vibrational properties, and explore general trends and anomalies. We identify an abundance of bistable bilayers with stacking order-dependent magnetic or electrical polarisation states making them candidates for slidetronics applications.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.