{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,6]],"date-time":"2026-10-06T16:00:45Z","timestamp":1791302445883,"version":"4.1.0"},"reference-count":53,"publisher":"American Chemical Society (ACS)","issue":"39","license":[{"start":{"date-parts":[[2026,9,22]],"date-time":"2026-09-22T00:00:00Z","timestamp":1790035200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by-nc-nd\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100015090","name":"Imam Abdulrahman Bin Faisal University","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100015090","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004052","name":"King Abdullah University of Science and Technology","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100004052","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004055","name":"King Fahd University of Petroleum and Minerals","doi-asserted-by":"publisher","award":["INSS2513"],"award-info":[{"award-number":["INSS2513"]}],"id":[{"id":"10.13039\/501100004055","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2026,10,6]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>We conduct a systematic study that couples first-principles lattice dynamics, including three- and four-phonon processes, with parameter-free electronic transport simulations to quantify the thermoelectric response of Ba4Sb2Se and Ba4Sb2Te. Four-phonon processes expand the anharmonic phase space and suppress the lattice thermal conductivity. Directional and doping trends mirror the band structure. Multiple valence and conduction band valleys increase the Seebeck coefficient while keeping the carrier mobility competitive. With three- and four-phonon processes, the peaks of the thermoelectric figure of merit at 700 K are 0.9\/1.0 and 0.7\/1.0 for Ba4Sb2Se and 0.9\/1.2 and 0.9\/1.3 for Ba4Sb2Te in the a- and c-directions, respectively, with each pair of values ordered as hole\/electron. Altogether, the high thermoelectric figures of merit obtained show that the studied materials offer a promising mid-temperature thermoelectric platform. Explicitly treating four-phonon scattering and selecting the optimal carrier and transport direction are key.<\/jats:p>","DOI":"10.1021\/acsomega.6c00808","type":"journal-article","created":{"date-parts":[[2026,9,22]],"date-time":"2026-09-22T19:01:26Z","timestamp":1790103686000},"page":"58599-58605","source":"Crossref","is-referenced-by-count":0,"title":["Unraveling Four-Phonon Contributions to Thermoelectricity\nin Ba4Sb2Se and Ba4Sb2Te"],"prefix":"10.1021","volume":"11","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-4718-1112","authenticated-orcid":true,"given":"Aamir","family":"Shafique","sequence":"first","affiliation":[{"name":"King Fahd University of Petroleum & Minerals , , ,","place":["Dhahran, Saudi Arabia, 31261"]},{"name":"National University of Sciences and Technology (NUST) , , ,","place":["Islamabad, Pakistan, 54000"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Eman","family":"Al Dawood","sequence":"additional","affiliation":[{"name":"Imam Abdulrahman Bin Faisal University , , P.O. Box 1982, ,","place":["Dammam, Saudi Arabia, 31441"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4179-7231","authenticated-orcid":true,"given":"Udo","family":"Schwingenschlo\u0308gl","sequence":"additional","affiliation":[{"name":"King Abdullah University of Science and Technology (KAUST) , , ,","place":["Thuwal, Saudi Arabia, 23955-6900"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9587-707X","authenticated-orcid":true,"given":"Sabri F.","family":"Elatresh","sequence":"additional","affiliation":[{"name":"King Fahd University of Petroleum & Minerals , , ,","place":["Dhahran, Saudi Arabia, 31261"]},{"name":"King Fahd University of Petroleum & Minerals , , ,","place":["Dhahran, Saudi Arabia, 31261"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,9,22]]},"reference":[{"key":"2026100610463096700_cit1","doi-asserted-by":"publisher","first-page":"4792","DOI":"10.3390\/su14084792","article-title":"A Global Assessment:\nCan Renewable Energy Replace Fossil Fuels by 2050?","volume":"14","author":"Holechek","year":"2022","journal-title":"Sustainability"},{"key":"2026100610463096700_cit2","doi-asserted-by":"publisher","first-page":"703","DOI":"10.1126\/science.285.5428.703","article-title":"Thermoelectric\nCooling and Power Generation","volume":"285","author":"DiSalvo","year":"1999","journal-title":"Science"},{"key":"2026100610463096700_cit3","doi-asserted-by":"publisher","first-page":"1457","DOI":"10.1126\/science.1158899","article-title":"Cooling,\nHeating, Generating Power, and Recovering Waste Heat with Thermoelectric\nSystems","volume":"321","author":"Bell","year":"2008","journal-title":"Science"},{"key":"2026100610463096700_cit4","doi-asserted-by":"publisher","first-page":"461","DOI":"10.1016\/j.nanoen.2018.10.013","article-title":"Thermoelectricity\nfor IoT: A Review","volume":"54","author":"Haras","year":"2018","journal-title":"Nano Energy"},{"key":"2026100610463096700_cit5","doi-asserted-by":"publisher","first-page":"12123","DOI":"10.1021\/acs.chemrev.6b00255","article-title":"Rationally\nDesigning High-Performance\nBulk Thermoelectric Materials","volume":"116","author":"Tan","year":"2016","journal-title":"Chem. 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