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Our results reveal a strong dependence of the electronic properties on the different fluorine coverages of fluorination. As the fluorine coverage increases, monolayer violet phosphorus undergoes a significant transition from a wide direct bandgap semiconductor to a narrow indirect bandgap semiconductor. Moreover, both semi\u2010fluorinated and fully fluorinated monolayer violet phosphorus exhibit advantageous semiconducting characteristics, with a tunable bandgap of 0.50\u2009~\u20091.04\u2009eV under biaxial strain ranging from \u22126% to 6%. Notably, the fully fluorinated monolayer violet phosphorus demonstrates a higher coefficient of light absorption within the visible range. Therefore, our findings highlight the tunability of monolayer violet phosphorus properties through the absorption of various fluorine coverages, providing valuable insights for the design and development of novel semiconductor devices based on this material.<\/jats:p>","DOI":"10.1002\/jcc.27369","type":"journal-article","created":{"date-parts":[[2024,4,16]],"date-time":"2024-04-16T04:20:01Z","timestamp":1713241201000},"page":"1737-1743","update-policy":"https:\/\/summer-heart-0930.chufeiyun1688.workers.dev:443\/https\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":3,"title":["Modifying electronic and optical properties of violet phosphorus through variable fluorine coverage"],"prefix":"10.1002","volume":"45","author":[{"given":"Suen","family":"Wang","sequence":"first","affiliation":[{"name":"School of Science &amp; New Energy Technology Engineering Laboratory of Jiangsu Province Nanjing University of Posts and Telecommunications (NJUPT)  Nanjing China"}]},{"given":"Xiaoyu","family":"Liu","sequence":"additional","affiliation":[{"name":"School of Science &amp; 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