{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,15]],"date-time":"2026-10-15T04:49:21Z","timestamp":1792039761673,"version":"4.4.0"},"reference-count":71,"publisher":"Wiley","license":[{"start":{"date-parts":[[2026,10,14]],"date-time":"2026-10-14T00:00:00Z","timestamp":1791936000000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"},{"start":{"date-parts":[[2026,10,14]],"date-time":"2026-10-14T00:00:00Z","timestamp":1791936000000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"content-domain":{"domain":["onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Angew Chem Int Ed"],"abstract":"<jats:title>ABSTRACT<\/jats:title>\n                  <jats:p>\n                    Metal chalcohalides, an emerging class of mixed\u2010anion compounds, have recently garnered increasing interest as they unite the exceptional stability of metal chalcogenides with the versatile electronic tunability of metal halides. Here, we synthesize single\u2010 and polycrystalline CuTe\n                    <jats:sub>2<\/jats:sub>\n                    Cl, a two\u2010dimensional layered metal chalcohalide, which exhibits intrinsically ultralow lattice thermal conductivity (\n                    <jats:italic>\u03ba<\/jats:italic>\n                    <jats:sub>lat<\/jats:sub>\n                    ) of \u223c0.54\u20130.24\u00a0W m\n                    <jats:sup>\u22121<\/jats:sup>\n                    K\n                    <jats:sup>\u22121<\/jats:sup>\n                    between 300 and 600 K along the layered growth direction. Strong\n                    <jats:italic>p\u2010d*<\/jats:italic>\n                    antibonding states arising from Cu 3\n                    <jats:italic>d<\/jats:italic>\n                    \u2010Te 5\n                    <jats:italic>p<\/jats:italic>\n                    and Cu 3\n                    <jats:italic>d<\/jats:italic>\n                    \u2010Cl 3\n                    <jats:italic>p<\/jats:italic>\n                    interactions in the valence band just below the Fermi level weaken the Cu\u2010Te and Cu\u2010Cl bonds to render the lattice elastically soft. Moreover, heteroleptic polyhedral coordination enforces chemical bonding hierarchy, which, together with the stereochemically active 5\n                    <jats:italic>\n                      s\n                      <jats:sup>2<\/jats:sup>\n                    <\/jats:italic>\n                    lone pair of Te, generates pronounced lattice anharmonicity. These effects give rise to localized low\u2010energy optical phonon modes, which suppress the acoustic phonons, as confirmed by phonon dispersion calculations. 5\n                    <jats:italic>\n                      s\n                      <jats:sup>2<\/jats:sup>\n                    <\/jats:italic>\n                    lone pair driven Te\u2010ring puckering and lattice shearing between layers provide low\u2010frequency optical modes, which are experimentally identified by low\u2010temperature Raman spectroscopy and heat\u2010capacity measurements. Collectively, strong\n                    <jats:italic>p\u2010d*<\/jats:italic>\n                    antibonding interaction induced lattice softening and lone pair driven instability produce strong anharmonicity, which markedly suppresses the heat\u2010carrying acoustic phonons, leading to intrinsically ultralow\n                    <jats:italic>\u03ba<\/jats:italic>\n                    <jats:sub>lat<\/jats:sub>\n                    in mixed anionic CuTe\n                    <jats:sub>2<\/jats:sub>\n                    Cl.\n                  <\/jats:p>","DOI":"10.1002\/anie.2538518","type":"journal-article","created":{"date-parts":[[2026,10,15]],"date-time":"2026-10-15T04:37:28Z","timestamp":1792039048000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Ultra\u2010Low Thermal Conductivity in Mixed Anionic CuTe\n                    <sub>2<\/sub>\n                    Cl: Strong Antibonding States and Lone Pair\u2010Induced Te Ring Puckering"],"prefix":"10.1002","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-4910-4359","authenticated-orcid":false,"given":"Indrajit","family":"Haldar","sequence":"first","affiliation":[{"name":"New Chemistry Unit International Centre for Materials Science and School of Advanced Materials Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR)  Bangalore India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0008-8593-5871","authenticated-orcid":false,"given":"Sayan","family":"Paul","sequence":"additional","affiliation":[{"name":"Theoretical Science Unit Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR)  Bangalore India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3414-2643","authenticated-orcid":false,"given":"Animesh","family":"Bhui","sequence":"additional","affiliation":[{"name":"New Chemistry Unit International Centre for Materials 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