{"id":268783,"date":"2025-10-05T08:00:00","date_gmt":"2025-10-05T00:00:00","guid":{"rendered":"http:\/\/www.cailiaoniu.com\/?p=268783"},"modified":"2025-10-04T23:15:46","modified_gmt":"2025-10-04T15:15:46","slug":"%e9%a6%99%e6%b8%af%e7%90%86%e5%b7%a5%e5%a4%a7%e5%ad%a6%e6%9d%a8%e6%98%8e%e6%95%99%e6%8e%88%e8%af%be%e9%a2%98%e7%bb%84-acs-nano%ef%bc%9a%e9%ab%98%e9%80%9a%e9%87%8f%e8%ae%a1%e7%ae%97%e7%ad%9b","status":"publish","type":"post","link":"http:\/\/www.cailiaoniu.com\/?p=268783","title":{"rendered":"\u9999\u6e2f\u7406\u5de5\u5927\u5b66\u6768\u660e\u6559\u6388\u8bfe\u9898\u7ec4\u00a0ACS 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href=\"https:\/\/doi.org\/10.1021\/acsnano.5c12416\"><u>https:\/\/doi.org\/10.1021\/acsnano.5c12416<\/u><\/a>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;<\/p>\n\n\n\n<p>\u5168\u6587\u901f\u89c8<\/p>\n\n\n\n<p>\u8be5\u7814\u7a76\u901a\u8fc7\u9ad8\u901a\u91cf\u7b5b\u9009\u4e0e\u9ad8\u901a\u91cf\u7b2c\u4e00\u6027\u539f\u7406\u8ba1\u7b97\uff0c\u4eceMaterials Project\u5341\u591a\u4e07\u79cd\u5019\u9009\u6750\u6599\u4e2d\u7b5b\u9009\u51fa6\u79cd\u9ad8\u6027\u80fd\u65e0\u673a\u5206\u5b50\u6676\u4f53\uff08Inorganic Molecular Crystals; IMCs\uff09\uff0c\u517c\u5177\u9ad8\u4ecb\u7535\u5e38\u6570\u4e0e\u5bbd\u5e26\u9699\u7279\u6027\u3002\u8fd9\u4e9b\u6750\u6599\u4e0e\u5df2\u62a5\u9053\u76849\u79cd\u4e8c\u7ef4\u534a\u5bfc\u4f53\u6750\u6599\u4e4b\u95f4\u5c55\u73b0\u51fa\u4f18\u5f02\u7684\u8303\u5fb7\u534e\uff08van der 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Sb\u2082O\u2083 \u53ca\u5176\u4ed6\u5c11\u6570\u51e0\u79cd\u6750\u6599\uff0c\u4e9f\u9700\u5f00\u53d1\u51fa\u66f4\u591a\u5177\u5907\u9ad8\u6027\u80fd\u7684\u5019\u9009\u65e0\u673a\u5206\u5b50\u6676\u4f53\uff0c\u4ee5\u63a8\u52a8\u4e8c\u7ef4\u7535\u5b50\u5668\u4ef6\u7684\u53d1\u5c55\u548c\u5e94\u7528\u3002<\/p>\n\n\n\n<p>\u672c\u6587\u4eae\u70b9<\/p>\n\n\n\n<ol style=\"list-style-type:lower-alpha\" class=\"wp-block-list\">\n<li><strong>\u9ad8\u6548\u7b5b\u9009<\/strong>\uff1a\u672c\u6587\u901a\u8fc7\u8bbe\u8ba1\u9ad8\u6548\u7b5b\u9009\u6d41\u7a0b\uff0c\u57fa\u4e8e\u6750\u6599\u7684\u7ed3\u6784\u7279\u6027\u3001\u7a33\u5b9a\u6027\u3001\u53ef\u5408\u6210\u6027\u3001\u7535\u5b66\u548c\u4ecb\u7535\u6027\u80fd\u7b49\u5173\u952e\u6307\u6807\uff0c\u4ece Materials Project \u6570\u636e\u5e93\u4e2d\u7684\u6570\u5341\u4e07\u79cd\u5019\u9009\u6750\u6599\u4e2d\u7b5b\u9009\u51fa 937 \u79cd\u65e0\u673a\u5206\u5b50\u6676\u4f53\uff08IMC\uff09\u3002<\/li>\n\n\n\n<li><strong>\u9ad8\u6548\u8ba1\u7b97<\/strong>\uff1a\u501f\u52a9\u81ea\u4e3b\u5f00\u53d1\u7684\u9ad8\u901a\u91cf\u8ba1\u7b97\u6846\u67b6 <a href=\"https:\/\/github.com\/bitsoal\/VASP_HTC_framework\"><u>VASP_HTC_framework<\/u><\/a>\uff0c\u5bf9\u7b5b\u9009\u51fa\u7684 IMC \u5019\u9009\u6750\u6599\u8fdb\u884c\u4e86\u9ad8\u6548\u8ba1\u7b97\uff0c\u6700\u7ec8\u9501\u5b9a 6 \u79cd\u6027\u80fd\u5353\u8d8a\u7684 IMC \u6750\u6599\uff0c\u5305\u62ec Sb\u2082S\u2082O\u2089\u3001\u4e24\u4e2a\u4e9a\u7a33\u76f8 Bi\u2082O\u2083\u3001As\u2082S\u2082O\u2089\u3001Sb\u2082O\u2083 \u548c Te\u2082H\u2082O\u2083F\u2084\u3002<\/li>\n\n\n\n<li><strong>\u4f18\u5f02\u754c\u9762\u6027\u80fd<\/strong>\uff1a\u7814\u7a76\u53d1\u73b0\uff0c\u8fd9\u4e9bIMC\u6750\u6599\u4e0e9\u79cd\u4e8c\u7ef4\u534a\u5bfc\u4f53\u6750\u6599\uff08\u5982BP\u548cMoS<sub>2<\/sub>\uff09\u4e4b\u95f4\u62e5\u6709\u8d85\u8fc71 eV\u7684\u5e26\u8fb9\u504f\u79fb(band offset)\u3002\u754c\u9762\u6a21\u62df\u8fdb\u4e00\u6b65\u63ed\u793a\u4e86\u8be5\u7c7b\u754c\u9762\u7684\u4f18\u5f02\u7279\u6027\uff0c\u5305\u62ec\u5927\u5e26\u8fb9\u504f\u79fb\u3001\u9ad8\u754c\u9762\u7f3a\u9677\u5bb9\u5fcd\u6027\u4ee5\u53ca\u4f4e\u4ecb\u7535\u5c42\u6f0f\u7535\u6d41\u3002<\/li>\n\n\n\n<li><strong>\u4e9a\u7eb3\u7c73EOT<\/strong>\uff1a\u5f53\u8fd96\u79cdIMC\u6750\u6599\u4f5c\u4e3a\u4e8c\u7ef4\u534a\u5bfc\u4f53\u6750\u6599\u7684\u4ecb\u7535\u5c42\u65f6\uff0c\u5176\u7b49\u6548\u6c27\u5316\u7269\u539a\u5ea6(EOT)\u5373\u4f7f\u5728\u4e9a\u7eb3\u7c73\u5c3a\u5ea6\uff0c\u4ea6\u80fd\u6ee1\u8db3\u73b0\u4ee3\u7535\u5b50\u5668\u4ef6\u7684\u5e94\u7528\u8981\u6c42\u3002<\/li>\n<\/ol>\n\n\n\n<p>\u56fe\u6587\u89e3\u6790<\/p>\n\n\n\n<figure class=\"wp-block-image size-full\"><img loading=\"lazy\" decoding=\"async\" width=\"1268\" height=\"755\" src=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2025\/10\/2382c315a6ba396-6.png\" alt=\"\" class=\"wp-image-268784\"\/><\/figure>\n\n\n\n<p>\u56fe1. \u9ad8\u901a\u91cf\u7b5b\u9009\u53ca\u9ad8\u901a\u91cf\u8ba1\u7b97\u6d41\u7a0b<\/p>\n\n\n\n<p>\u56fe 1 \u7cfb\u7edf\u5c55\u793a\u4e86\u672c\u7814\u7a76\u5de5\u4f5c\u7684\u6574\u4f53\u7b5b\u9009\u7b56\u7565\u3002\u4ece\u5927\u578b\u6750\u6599\u6570\u636e\u5e93 Materials Project \u51fa\u53d1\uff0c\u9996\u5148\u5229\u7528\u6570\u636e\u5e93\u4e2d\u5df2\u6709\u7684\u6750\u6599\u6027\u8d28\u5bf9\u6837\u672c\u8fdb\u884c\u9884\u7b5b\u9009\uff0c\u7b5b\u9009\u51fa\u7a33\u5b9a\u6027\u8f83\u9ad8\u4e14\u53ef\u80fd\u5177\u6709\u8f83\u5927\u5e26\u9699\u7684\u5019\u9009\u6750\u6599\u3002\u9488\u5bf9\u65e0\u673a\u5206\u5b50\u6676\u4f53\u7684\u72ec\u7279\u7ed3\u6784\u7279\u6027\uff0c\u5f00\u53d1\u4e86\u4e00\u79cd\u9ad8\u6548\u7b5b\u9009\u7b97\u6cd5\uff0c\u663e\u8457\u7f29\u5c0f\u4e86\u5019\u9009\u6750\u6599\u7684\u8303\u56f4\u3002\u968f\u540e\uff0c\u91c7\u7528\u5305\u542b\u8303\u5fb7\u534e\u4f5c\u7528\u6821\u6b63\u7684\u9ad8\u901a\u91cf\u7b2c\u4e00\u6027\u539f\u7406\u8ba1\u7b97\uff0c\u5bf9\u5019\u9009\u6750\u6599\u7684\u7269\u6027\u8fdb\u884c\u6df1\u5165\u8bc4\u4f30\uff0c\u6700\u7ec8\u7b5b\u9009\u51fa 6 \u79cd\u6027\u80fd\u4f18\u5f02\u7684\u57fa\u4e8e IMC \u7684\u9ad8\u03ba \u4ecb\u7535\u6750\u6599\u3002<\/p>\n\n\n\n<figure class=\"wp-block-image size-full\"><img loading=\"lazy\" decoding=\"async\" width=\"1268\" height=\"1011\" src=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2025\/10\/ce6e2814f207c93-5.png\" alt=\"\" class=\"wp-image-268785\"\/><\/figure>\n\n\n\n<p>\u56fe2. \u5bf9707\u79cd\u65e0\u673a\u5206\u5b50\u6676\u4f53\u5019\u9009\u6750\u6599\u7684\u7edf\u8ba1\u5206\u6790\u3002\u5305\u542b\u8303\u5fb7\u534e\u6821\u6b63\u524d\u540e\u7684(a)\u4f53\u79ef\u4e0e(b)\u4ecb\u7535\u5e38\u6570\u5bf9\u6bd4\u3002(c)\u7535\u5b50\u8d21\u732e\u5360\u603b\u4f53\u4ecb\u7535\u5e38\u6570\u7684\u6bd4\u4f8b\u3002\uff08d\uff09\u57fa\u4e8e\u4ecb\u7535\u5e38\u6570\u548c\u5e26\u9699\u5bf9\u5019\u9009\u6750\u6599\u8fdb\u884c\u7b5b\u9009\u3002<\/p>\n\n\n\n<p>\u56fe 2 \u603b\u7ed3\u4e86\u5bf9 707 \u79cd\u7a33\u5b9a IMC \u6750\u6599\u7684\u7edf\u8ba1\u5206\u6790\u7ed3\u679c\u3002\u901a\u8fc7\u5bf9\u6bd4\u5305\u542b\u8303\u5fb7\u534e\u6821\u6b63\u524d\u540e\u7684\u4f53\u79ef\u53d8\u5316\uff08\u56fe 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Computational Design of Inorganic Molecular Crystal-Based High-\u03ba Dielectrics for Two-Dimensional Electronics\u201d, <em>ACS Nano<\/em>\u00a0(2025) <a href=\"https:\/\/doi.org\/10.1021\/acsnano.5c12416\"><u>https:\/\/doi.org\/10.1021\/acsnano.5c12416<\/u><\/a><\/li>\n\n\n\n<li>Liu, <em>et al.<\/em>\u00a0A wafer-scale van der Waals dielectric made from an inorganic molecular crystal film.\u00a0<em>Nat Electron<\/em>\u00a04, 906\u2013913 (2021). <a 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