{"paper":{"title":"Mechanisms of Nanoscroll Formation and Particle Encapsulation in Janus MXenes","license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","headline":"","cross_cats":["physics.atom-ph","physics.comp-ph"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Fatemeh Mohammad Dezashibi, Hossein Darban, Ould el Moctar, Sasan Rezaee","submitted_at":"2026-08-12T14:57:17Z","abstract_excerpt":"Morphology transfer of 2D Janus MXenes into nanoscrolls unlocks unusual properties. Although a scalable synthesis route has been experimentally verified, the atomistic mechanism underlying nanoscroll formation remains poorly understood. We use large-scale reactive molecular dynamics simulations, validated against density functional theory (DFT) and experimental structural and elastic properties, to investigate stability and quantify the driving forces and geometry governing nanoscroll formation in three Janus MXenes, (Tx)Ti2C(Ty), where (Tx) and (Ty) denote the bottom and top surface terminati"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2608.12439","kind":"arxiv","version":1},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/2608.12439/integrity.json","findings":[],"available":true,"detectors_run":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938"},"references":{"count":0,"sample":[],"resolved_work":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","internal_anchors":0},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"}