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However, the intrinsic low electrical conductivity impedes the further enhancement of the thermoelectric performance of AgSbSe\n                    <jats:sub>2<\/jats:sub>\n                    . Here, a novel approach is initiated to enhance the thermoelectric properties of AgSbSe\n                    <jats:sub>2<\/jats:sub>\n                    by combining atomic off\u2010centering with grain boundary engineering. This work simultaneously promotes the grain growth and amplifies off\u2010centering behavior for Ag\n                    <jats:sub>1+<\/jats:sub>\n                    <jats:italic>\n                      <jats:sub>y<\/jats:sub>\n                    <\/jats:italic>\n                    Sb\n                    <jats:sub>\n                      1\u2212\n                      <jats:italic>x<\/jats:italic>\n                      \u2212\n                      <jats:italic>y<\/jats:italic>\n                    <\/jats:sub>\n                    Bi\n                    <jats:italic>\n                      <jats:sub>x<\/jats:sub>\n                    <\/jats:italic>\n                    Se\n                    <jats:sub>2<\/jats:sub>\n                    by the precise adjustment of the Ag\/Sb ratio based on Bi\u2010doping. The enlarged grain induces the increasing room\u2010temperature carrier mobility from 2.49 cm\n                    <jats:sup>2<\/jats:sup>\n                    V\n                    <jats:sup>\u22121<\/jats:sup>\n                    s\n                    <jats:sup>\u22121<\/jats:sup>\n                    for pristine AgSbSe\n                    <jats:sub>2<\/jats:sub>\n                    to 11.16 cm\n                    <jats:sup>2<\/jats:sup>\n                    V\n                    <jats:sup>\u22121<\/jats:sup>\n                    s\n                    <jats:sup>\u22121<\/jats:sup>\n                    for Ag\n                    <jats:sub>1.01<\/jats:sub>\n                    Sb\n                    <jats:sub>0.9<\/jats:sub>\n                    Bi\n                    <jats:sub>0.09<\/jats:sub>\n                    Se\n                    <jats:sub>2<\/jats:sub>\n                    , and a high power factor of \u22487.2 \u00b5W cm\n                    <jats:sup>\u22121<\/jats:sup>\n                    K\n                    <jats:sup>\u22122<\/jats:sup>\n                    is achieved in Ag\n                    <jats:sub>1.01<\/jats:sub>\n                    Sb\n                    <jats:sub>0.9<\/jats:sub>\n                    Bi\n                    <jats:sub>0.09<\/jats:sub>\n                    Se\n                    <jats:sub>2<\/jats:sub>\n                    . Simultaneously, the amplified localized off\u2010centering behavior drives a low lattice thermal conductivity of \u22480.37\u00a0W m\n                    <jats:sup>\u22121<\/jats:sup>\n                    K\n                    <jats:sup>\u22121<\/jats:sup>\n                    for Ag\n                    <jats:sub>1.01<\/jats:sub>\n                    Sb\n                    <jats:sub>0.9<\/jats:sub>\n                    Bi\n                    <jats:sub>0.09<\/jats:sub>\n                    Se\n                    <jats:sub>2<\/jats:sub>\n                    at 673 K, representing a 20% reduction in lattice thermal conductivity than that of pristine AgSbSe\n                    <jats:sub>2<\/jats:sub>\n                    . As a result, Ag\n                    <jats:sub>1.01<\/jats:sub>\n                    Sb\n                    <jats:sub>0.9<\/jats:sub>\n                    Bi\n                    <jats:sub>0.09<\/jats:sub>\n                    Se\n                    <jats:sub>2<\/jats:sub>\n                    obtains an excellent figure\u2010of\u2010merit\n                    <jats:italic>zT<\/jats:italic>\n                    of \u22481.11 at 673 K. The synergistic optimization of cation modulation simultaneously promotes the grain growth and amplifies off\u2010centering behavior, which provides a new optimization paradigm for designing high\u2010performance AgSbSe\n                    <jats:sub>2<\/jats:sub>\n                    thermoelectric materials.\n                  <\/jats:p>","DOI":"10.1002\/smll.202505114","type":"journal-article","created":{"date-parts":[[2025,9,4]],"date-time":"2025-09-04T09:14:56Z","timestamp":1756977296000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":3,"title":["Atomic Off\u2010Centering and Grain Boundary Engineering Drive Extraordinary Thermoelectric Properties in AgSbSe\n                    <sub>2<\/sub>"],"prefix":"10.1002","volume":"21","author":[{"given":"Hongda","family":"Song","sequence":"first","affiliation":[{"name":"Key Laboratory of Solidification Control and Digital Preparation Technology (Liaoning Province) School of Materials Science and Engineering Dalian University of Technology  Dalian 116024 China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Saichao","family":"Cao","sequence":"additional","affiliation":[{"name":"Shanghai Synchrotron Radiation Facility Zhangjiang Laboratory Shanghai Advanced Research Institute Chinese Academy of Sciences  Shanghai 201204 China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Wen","family":"Zhang","sequence":"additional","affiliation":[{"name":"Key Laboratory of Solidification Control and Digital Preparation Technology (Liaoning Province) School of Materials Science and Engineering Dalian University of Technology  Dalian 116024 China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Lifeng","family":"Jiang","sequence":"additional","affiliation":[{"name":"Key Laboratory of Solidification Control and Digital Preparation Technology (Liaoning Province) School of Materials Science and Engineering Dalian University of 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