{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,25]],"date-time":"2026-08-25T14:16:47Z","timestamp":1787667407853,"version":"build-2736575974"},"reference-count":35,"publisher":"Beilstein Institut","license":[{"start":{"date-parts":[[2019,10,25]],"date-time":"2019-10-25T00:00:00Z","timestamp":1571961600000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0"},{"start":{"date-parts":[[2019,10,25]],"date-time":"2019-10-25T00:00:00Z","timestamp":1571961600000},"content-version":"am","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0"},{"start":{"date-parts":[[2019,10,25]],"date-time":"2019-10-25T00:00:00Z","timestamp":1571961600000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Beilstein J. Nanotechnol."],"accepted":{"date-parts":[[2019,10,16]]},"abstract":"<jats:p>\n                    We have investigated the thermoelectric properties of a pristine MoO\n                    <jats:sub>3<\/jats:sub>\n                    monolayer and its defective structures with different oxygen vacancies using first-principles methods combined with Boltzmann transport theory. Our results show that the thermoelectric properties of the MoO\n                    <jats:sub>3<\/jats:sub>\n                    monolayer exhibit an evident anisotropic behavior which is caused by the similar anisotropy of the electrical and thermal conductivity. The thermoelectric materials figure of merit (\n                    <jats:italic>ZT<\/jats:italic>\n                    ) value along the\n                    <jats:italic>x<\/jats:italic>\n                    - and the\n                    <jats:italic>y<\/jats:italic>\n                    -axis is 0.72 and 0.08 at 300 K, respectively. Moreover, the creation of oxygen vacancies leads to a sharp peak near the Fermi level in the density of states. This proves to be an effective way to enhance the\n                    <jats:italic>ZT<\/jats:italic>\n                    values of the MoO\n                    <jats:sub>3<\/jats:sub>\n                    monolayer. The increased\n                    <jats:italic>ZT<\/jats:italic>\n                    values can reach 0.84 (\n                    <jats:italic>x<\/jats:italic>\n                    -axis) and 0.12 (\n                    <jats:italic>y<\/jats:italic>\n                    -axis) at 300 K.\n                  <\/jats:p>","DOI":"10.3762\/bjnano.10.199","type":"journal-article","created":{"date-parts":[[2019,10,25]],"date-time":"2019-10-25T02:23:44Z","timestamp":1571970224000},"page":"2031-2038","source":"Crossref","is-referenced-by-count":15,"title":["Improvement of the thermoelectric properties of a MoO\n                    <sub>3<\/sub>\n                    monolayer through oxygen 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