{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,11,3]],"date-time":"2026-11-03T22:15:51Z","timestamp":1793744151998,"version":"4.6.1"},"reference-count":69,"publisher":"Springer Science and Business Media LLC","issue":"1","license":[{"start":{"date-parts":[[2022,2,22]],"date-time":"2022-02-22T00:00:00Z","timestamp":1645488000000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0"},{"start":{"date-parts":[[2022,2,22]],"date-time":"2022-02-22T00:00:00Z","timestamp":1645488000000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0"}],"content-domain":{"domain":["link.springer.com"],"crossmark-restriction":false},"short-container-title":["Sci Rep"],"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>\n                    We studied the physical, electronic transport and optical properties of a unique pentagonal PdQ\n                    <jats:sub>2<\/jats:sub>\n                    (Q\u2009=\u2009S, Se) monolayers. The dynamic stability of 2Dwrinkle like-PdQ\n                    <jats:sub>2<\/jats:sub>\n                    is proven by positive phonon frequencies in the phonon dispersion curve. The optimized structural parameters of wrinkled pentagonal PdQ\n                    <jats:sub>2<\/jats:sub>\n                    are in good agreement with the available experimental results. The ultimate tensile strength (UTHS) was calculated and found that, penta-PdS\n                    <jats:sub>2<\/jats:sub>\n                    monolayer can withstand up to 16% (18%) strain along\n                    <jats:italic>x<\/jats:italic>\n                    (\n                    <jats:italic>y<\/jats:italic>\n                    ) direction with 3.44 GPa (3.43 GPa). While, penta-PdSe\n                    <jats:sub>2<\/jats:sub>\n                    monolayer can withstand up to 17% (19%) strain along\n                    <jats:italic>x<\/jats:italic>\n                    (\n                    <jats:italic>y<\/jats:italic>\n                    ) dirrection with 3.46 GPa (3.40 GPa). It is found that, the penta-PdQ\n                    <jats:sub>2<\/jats:sub>\n                    monolayers has the semiconducting behavior with indirect band gap of 0.94 and 1.26\u00a0eV for 2D-PdS\n                    <jats:sub>2<\/jats:sub>\n                    and 2D-PdSe\n                    <jats:sub>2<\/jats:sub>\n                    , respectively. More interestingly, at room temperacture, the hole mobilty (electron mobility) obtained for 2D-PdS\n                    <jats:sub>2<\/jats:sub>\n                    and PdSe\n                    <jats:sub>2<\/jats:sub>\n                    are 67.43 (258.06) cm\n                    <jats:sup>2<\/jats:sup>\n                    V\n                    <jats:sup>\u22121<\/jats:sup>\n                    \u00a0s\n                    <jats:sup>\u22121<\/jats:sup>\n                    and 1518.81 (442.49) cm\n                    <jats:sup>2<\/jats:sup>\n                    V\n                    <jats:sup>\u22121<\/jats:sup>\n                    \u00a0s\n                    <jats:sup>\u22121<\/jats:sup>\n                    , respectively. In addition, I-V characteristics of PdSe\n                    <jats:sub>2<\/jats:sub>\n                    monolayer show strong negative differential conductance (NDC) region near the 3.57\u00a0V. The Shockly-Queisser (SQ) effeciency prameters of PdQ\n                    <jats:sub>2<\/jats:sub>\n                    monolayers are also explored and the highest SQ efficeinciy obtained for PdS\n                    <jats:sub>2<\/jats:sub>\n                    is 33.93% at \u22125% strain and for PdSe\n                    <jats:sub>2<\/jats:sub>\n                    is 33.94% at \u22122% strain. The penta-PdQ\n                    <jats:sub>2<\/jats:sub>\n                    exhibits high optical absorption intensity in the UV region, up to 4.04\u2009\u00d7\u200910\n                    <jats:sup>5<\/jats:sup>\n                    (for PdS\n                    <jats:sub>2<\/jats:sub>\n                    ) and 5.28\u2009\u00d7\u200910\n                    <jats:sup>5<\/jats:sup>\n                    (for PdSe\n                    <jats:sub>2<\/jats:sub>\n                    ), which is suitable for applications in optoelectronic devices. Thus, the ultrathin PdQ\n                    <jats:sub>2<\/jats:sub>\n                    monolayers could be potential material for next-generation solar-cell applications and high performance nanodevices.\n                  <\/jats:p>","DOI":"10.1038\/s41598-022-06142-6","type":"journal-article","created":{"date-parts":[[2022,2,22]],"date-time":"2022-02-22T06:02:51Z","timestamp":1645509771000},"update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":45,"title":["Strain modulating electronic band gaps and SQ efficiencies of semiconductor 2D PdQ2 (Q\u2009=\u2009S, Se) monolayer"],"prefix":"10.1038","volume":"12","author":[{"given":"Dhara","family":"Raval","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sanjeev K.","family":"Gupta","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"P. 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