{"id":159363,"date":"2018-11-21T06:30:35","date_gmt":"2018-11-20T22:30:35","guid":{"rendered":"\/\/m.iemloyee.com\/?p=159363"},"modified":"2018-11-20T20:18:53","modified_gmt":"2018-11-20T12:18:53","slug":"%e9%82%93%e4%bf%8a%e6%a5%b7%e3%80%81%e6%9d%a8%e6%a3%ae%e8%a5%bf%e5%ae%89%e4%ba%a4%e9%80%9a%e5%a4%a7%e5%ad%a6%e5%92%8c%e5%88%98%e5%93%b2%e5%a2%a8%e5%b0%94%e6%9c%ac%e5%a4%a7%e5%ad%a6jacs%ef%bc%9a","status":"publish","type":"post","link":"\/\/m.iemloyee.com\/?p=159363","title":{"rendered":"\u9093\u4fca\u6977\u3001\u6768\u68ee\u897f\u5b89\u4ea4\u901a\u5927\u5b66\u548c\u5218\u54f2\u58a8\u5c14\u672c\u5927\u5b66JACS\uff1a\u8fb9\u7f18\u91cd\u5efa\u7a33\u5b9a1T’-MoS2\u7eb3\u7c73\u5e26\u7684\u94c1\u78c1\u6027\u53ca\u5176\u5728\u7eb3\u7c73\u5e26\u5bbd\u5ea6\u4e0a\u7684\u5468\u671f\u6027\u632f\u8361"},"content":{"rendered":"

\u3010\u5f15\u8a00\u3011<\/strong><\/p>\n

\u4e8c\u7ef4\uff082D\uff09\u8fc7\u6e21\u91d1\u5c5e\u4e8c\u786b\u5316\u7269\uff08TMD\uff09\u662f\u4e00\u79cd\u96c6\u539f\u5b50\u8584\u6676\u4f53\u7ed3\u6784\u3001\u76f4\u63a5\u5e26\u9699\u3001\u5f3a\u81ea\u65cb\u8f68\u9053\u8026\u5408\u3001\u7a33\u5b9a\u4e14\u7075\u6d3b\u7684\u673a\u68b0\u6027\u80fd\u7684\u7269\u8d28\u3002\u5728\u67d4\u6027\u7535\u5b50\u3001\u5149\u7535\u5b50\u3001\u81ea\u65cb\u7535\u5b50\u3001\u50ac\u5316\u5242\u3001\u538b\u7535\u548c\u80fd\u91cf\u6536\u96c6\u7684\u57fa\u7840\u548c\u5e94\u7528\u7814\u7a76\u4e2d\u5177\u6709\u5e7f\u6cdb\u5e94\u7528\u3002\u7814\u7a76\u53d1\u73b0\uff0c\u4e8c\u786b\u5316\u94bc\uff08MoS2<\/sub>\uff09\u6709\u4e09\u4e2a\u6676\u76f8\uff1a2H\u30011T\u548c1T’\u3002\u5176\u4e2d\uff0c2H\u76f8\u662f\u5177\u67091.9 eV\u76f4\u63a5\u5e26\u9699\u7684\u534a\u5bfc\u4f53\u30021T\u76f8\u662f\u91d1\u5c5e\u548c\u4e9a\u7a33\u6001\u7684\u76f8\uff0c\u7ecf\u5386Mo\u4e8c\u805a\u5316\u7684\u5468\u671f\u6027\u7ed3\u6784\u53d8\u5f62\uff0c\u53ef\u5f62\u6210\u70ed\u7a33\u5b9a\u76841T’\u76f8\u3002\u5f53\u4ee5\u7eb3\u7c73\u5e26\uff08NR\uff09\uff0c\u7eb3\u7c73\u56e2\u7c07\u6216\u7eb3\u7c73\u8584\u7247\u7684\u5f62\u5f0f\u5236\u59072H-TMD\u65f6\uff0c\u66b4\u9732\u7684\u8fb9\u7f18\u901a\u5e38\u8868\u73b0\u51fa\u4e0e\u5176\u5927\u5757\u5f62\u5f0f\u4e0d\u540c\u7684\u7279\u6027\u3002\u4e0e\u5927\u591a\u6570\u7814\u7a76\u76842H\u76f8\u76f8\u6bd4\uff0c1T’-MoS2<\/sub>\u5177\u6709\u66f4\u590d\u6742\u7684\u6676\u4f53\u7ed3\u6784\u548c\u5316\u5b66\u952e\u3002\u672c\u6587\u91c7\u7528\u5bc6\u5ea6\u6cdb\u51fd\u7406\u8bba\uff08DFT\uff09\u8ba1\u7b97\u6765\u7814\u7a761T’-MoS2<\/sub> NRs\u7684Z\u5b57\u5f62\u8fb9\u7f18\u7684\u7ed3\u6784\u91cd\u5efa\u548c\u7269\u7406\u6027\u8d28\u3002<\/p>\n

\u3010\u6210\u679c\u7b80\u4ecb\u3011<\/strong><\/p>\n

\u8fd1\u65e5\uff0c\u4e2d\u56fd\u897f\u5b89\u4ea4\u901a\u5927\u5b66<\/strong>\u7684\u9093\u4fca\u6977\u3001\u6768\u68ee<\/strong>\u548c\u6fb3\u5927\u5229\u4e9a<\/strong>\u7684\u58a8\u5c14\u672c\u5927\u5b66<\/strong>\u7684\u5218\u54f2\uff08\u5171\u540c\u901a\u8baf\uff09<\/strong>\u4f5c\u8005\u7b49\u4eba\uff0c\u901a\u8fc7\u7b2c\u4e00\u6027\u539f\u7406\u8ba1\u7b97\u7814\u7a76\uff0c\u9884\u6d4b\u4e861T\u2019-MoS2<\/sub>\u7eb3\u7c73\u5e26\u7684\u5e26\u5bbd\u5ea6\u7684\u6676\u683c\u5355\u5143\u5947\u5076\u6570\u53d8\u5316\u800c\u5f15\u8d77\u7684\u7eb3\u7c73\u5e26\u8fb9\u7f18\u94c1\u78c1\u6027\u7684\u632f\u8361\u6548\u5e94\u3002\u8be5\u6548\u5e94\u662fTMDs\u7c7b\u4e8c\u7ef4\u6750\u6599\u4e2d\u9996\u6b21\u53d1\u73b0<\/strong>\u7684\u65b0\u578b\u6548\u5e94\uff0c\u53ea\u4e0e\u7eb3\u7c73\u5e26\u7684\u5bbd\u5ea6\u6709\u5173\u3002\u7814\u7a76\u4eba\u5458\u5c06\u6b64\u6548\u5e94\u547d\u540d\u4e3a\u7eb3\u7c73\u5e26\u78c1\u6027\u7684\u201cmagic number<\/strong>\u201d\uff0c\u5e76\u57fa\u4e8e\u6b64\u6548\u5e94\u8bbe\u8ba1\u4e86\u4e00\u79cd\u8c03\u63a7\u7eb3\u7c73\u5e26\u5bbd\u5ea6\u800c\u5f62\u6210\u7684\u8fb9\u7f18\u94c1\u78c1\u6027\u4ea4\u66ff\u7a33\u5b9a\u5b58\u5728\u7684\u65b0\u578b\u81ea\u65cb\u7535\u5b50\u5b66\u5668\u4ef6\u539f\u578b\u3002\u7531\u4e8e\u8fb9\u7f18\u94c1\u78c1\u6027\u7a33\u5b9a\u5b58\u5728\u7684\u6700\u5c0f\u5355\u4f4d\u53ef\u4ee5\u4e3a\u539f\u5b50\u5c3a\u5ea6\u7684\u6676\u683c\uff0c\u56e0\u6b64\u8fd9\u4e00\u5668\u4ef6\u539f\u578b\u6709\u671b\u7528\u4e8e\u5f00\u53d1\u548c\u8bbe\u8ba1\u8d85\u9ad8\u5bc6\u5ea6\u7684\u78c1\u5b58\u50a8\u6750\u6599\uff08\u5668\u4ef6\uff09\uff0c\u4e3aTMDs\u4e8c\u7ef4\u6750\u6599\u7684\u529f\u80fd\u5e94\u7528\u63d0\u4f9b\u4e86\u65b0\u7684\u601d\u8def\u3002\u76f8\u5173\u6210\u679c\u4ee5\u201c<\/strong>Ferromagnetism of 1T\u2019-MoS2<\/sub> Nanoribbons stabilized by edge reconstruction and its periodic variation on nanoribbons width<\/strong>\u201d\u4e3a\u9898\u53d1\u8868\u5728Journal of the American Chemical Society<\/strong>\u4e0a<\/strong>\u3002\u897f\u5b89\u4ea4\u901a\u5927\u5b66\u4e3a\u672c\u8bba\u6587\u7684\u7b2c\u4e00\u4f5c\u8005\u548c\u7b2c\u4e00\u901a\u8baf\u5355\u4f4d\uff0c\u8bba\u6587\u7b2c\u4e00\u4f5c\u8005\u9648\u51ef\u8fd0<\/strong>\u662f\u6750\u6599\u5b66\u9662\u9093\u4fca\u6977\u526f\u6559\u6388\u548c\u7406\u5b66\u9662\u6768\u68ee\u6559\u6388\u5408\u4f5c\u57f9\u517b\u7684\u535a\u58eb\u751f\u3002<\/p>\n

\u3010\u56fe\u6587\u5bfc\u8bfb\u3011<\/strong><\/p>\n

\u56fe<\/strong> 1 <\/strong>\u4e24\u79cd\u7c7b\u578b\u7684\u4e4b\u5b57\u5f62<\/strong>1T’-MoS2<\/sub><\/strong>\u7eb3\u7c73\u5e26<\/strong><\/p>\n

\"\"<\/p>\n

\uff08a\uff09\u539f\u59cb1T’-MoS2<\/sub>\u5355\u5c42\u6676\u4f53\u7684\u9876\u89c6\u56fe\u548c\u6b63\u89c6\u56fe\uff1b<\/p>\n

\uff08b\uff09S\u8fb9\u7f18\u5904\u7684\u4e24\u79cd\u4e0d\u540c\u7ed3\u6784\u7c7b\u578b\u76841T’\u4e4b\u5b57\u5f62\u7eb3\u7c73\u5e26\u3002<\/p>\n

\u56fe<\/strong> 2 1T’-MoS2<\/sub><\/strong>\u7eb3\u7c73\u5e26\u7684<\/strong>Mo<\/strong>\u8fb9\u7f18\u5904\u7684\u91cd\u5efa\u56fe<\/strong><\/p>\n

\"\"<\/p>\n

\uff08a\uff09AS-NR\u7684\u91cd\u5efaMo\u8fb9\u7f18\uff08\u7ea2\u8272\u865a\u7ebf\u6846\u663e\u793a\u7684\u8fb9\u7f18\u91cd\u5efa\u5728\u5076\u6570NZ<\/sub><\/em>\u5904\u53d1\u751f\uff09\uff1b<\/p>\n

\uff08b\uff09\u5728BS-NR\u7684\u60c5\u51b5\u4e0b\uff0c\u91cd\u6784\u53d1\u751f\u5728\u5947\u6570NZ<\/sub><\/em>\u5904\uff0c\u4f8b\u5982:N\u30018\u300110\u548c12\u3002<\/p>\n

\u56fe<\/strong> 3 Mo<\/strong>\u8fb9\u7f18\u91cd\u5efa\u7684\u7269\u7406\u8d77\u6e90\u5206\u6790\u56fe<\/strong><\/p>\n

\"\"<\/p>\n

\uff08a\uff09\u5728N-Z = 8\u7684AS-NR\u7684\u5207\u5272\u8fb9\u7f18\u5904\u7684Mo\u539f\u5b50\u7684\u7535\u5b50\u6295\u5c04\u6001\u5bc6\u5ea6\uff08PDOS\uff09\u56fe\uff1b<\/p>\n

\uff08b\uff09\u5728N-Z=8\u7684AS-NR\u7684\u91cd\u5efa\u8fb9\u7f18\u5904Mo\u539f\u5b50\u7684PDOS\u56fe\uff1b<\/p>\n

\uff08c-d\uff09\u8d39\u7c73\u80fd\u7ea7\u4e0d\u540c\u80fd\u91cf\u8303\u56f4\u5185\uff0c\u5207\u5272\u548c\u5f1b\u8c6b8-ASNR\u7684\u7535\u5b50\u5bc6\u5ea6\u5206\u5e03\u56fe\u3002<\/p>\n

\u56fe<\/strong> 4 <\/strong>\u8fb9\u7f18\u91cd\u5efa\u7a33\u5b9a<\/strong>Mo<\/strong>\u8fb9\u7f18\u7684<\/strong>FM<\/strong>\u72b6\u6001<\/strong><\/p>\n

\"\"<\/p>\n

\uff08a\uff09\u5728Mo\u8fb9\u7f18\u5904\u5177\u6709FM\uff0cNM\u548cAFM\u72b6\u6001\u7684\u5207\u5272AS-NR\uff08NZ<\/sub><\/em>=8\uff09\u7684\u81ea\u65cb\u7535\u8377\u5206\u5e03\u548c\u76f8\u5bf9\u603b\u80fd\u91cf\u5206\u5e03\u56fe;<\/p>\n

\uff08b\uff09\u91cd\u5efa\u540e\u81ea\u65cb\u7535\u8377\u5206\u5e03\u548c\u76f8\u5bf9\u603b\u80fd\u91cf\u56fe\u3002<\/p>\n

\u56fe<\/strong> 5 <\/strong>\u78c1\u6027\u3001\u7ed3\u6784\u548c\u80fd\u91cf\u7279\u6027\u5bf9<\/strong>NZ<\/sub><\/em><\/strong>\uff08\u5076\u6570\u6216\u5947\u6570\uff09\u7684\u654f\u611f\u4f9d\u8d56\u6027<\/strong><\/p>\n

\"\"<\/p>\n

\uff08a\uff091T’-MoS2<\/sub> NRs\u7684\u78c1\u77e9\u968fNZ<\/sub><\/em>\u7684\u53d8\u5316\u5468\u671f\u6027\u632f\u8361\u56fe\uff1b<\/p>\n

\uff08b\uff09\u6676\u683c\u5e38\u6570ax<\/sub>\u4e0eNZ<\/sub><\/em>\u7684\u51fd\u6570\u7c7b\u4f3c\u7684\u5468\u671f\u632f\u8361\u56fe\uff08\u9ed1\u8272\u865a\u7ebf\uff1a\u539f\u59cb1T’-MoS2<\/sub>\u7684\u6676\u683c\u5e38\u6570\uff09\uff1b<\/p>\n

\uff08c\uff091T’-MoS2<\/sub> NRs\u7684\u7ed3\u5408\u80fd\u8868\u73b0\u51fa\u7531\u4e24\u4e2a\u8fb9\u754c\u5305\u56f4\u7684\u5468\u671f\u6027\u53d8\u5316\u3002<\/p>\n

\u56fe<\/strong> 6 <\/strong>\u5355\u5c42<\/strong>MoS2<\/sub> NR<\/strong>\u5236\u6210\u7684\u65b0\u578b\u81ea\u65cb\u7535\u5b50\u5b66\u5668\u4ef6\u539f\u578b<\/strong><\/p>\n

\"\"<\/p>\n

\uff08a\uff09\u5355\u5c42MoS2<\/sub> NR\u7684\u4fe1\u606f\u5b58\u50a8\u88c5\u7f6e\u7684\u539f\u578b\u56fe\uff0c\u4e0d\u540cNZ<\/sub><\/em>\uff08\u9ad8\u78c1\u77e9\u6216\u4f4e\u78c1\u77e9\uff09\u7684\u6bb5\u7ec4\u6210\uff08\u9ed1\u8272\u7bad\u5934\uff1a\u81ea\u65cb\u6781\u5316\u65b9\u5411\uff09\uff1b<\/p>\n

\uff08b\uff09\u4e09\u4e2a\u5355\u4f4dNZ<\/sub><\/em>=6\uff08\u9ad8\u78c1\u77e9\uff09\u548c\u4e24\u4e2a\u5355\u4f4dNZ<\/sub><\/em>=5\uff08\u4f4e\u78c1\u77e9\uff09\u6bb5\u7684AS-NR\u8d85\u6676\u80de\u7684\u81ea\u65cb\u7535\u8377\u5206\u5e03\u3002<\/p>\n

\u3010\u5c0f\u7ed3\u3011<\/strong><\/p>\n

\u672c\u6587\u91c7\u7528DFT\u8ba1\u7b97\uff0c\u7814\u7a76\u4e861T’-MoS2<\/sub> NRs\u7684\u8fb9\u7f18\u91cd\u5efa\u548c\u76f8\u5173\u7684\u7269\u7406\u6027\u8d28\u3002\u7814\u7a76\u53d1\u73b0\u5728\u67d0\u4e2a\u7279\u5b9a\u5bbd\u5ea6NZ<\/sub><\/em>\u5904\uff0c\u53d1\u751f\u65b0\u7c7b\u578b\u7684\u8fb9\u7f18\u91cd\u5efa\uff0c\u5373\u5bf9\u4e8eAS-NR\u548c\u5947\u6570NZ<\/sub><\/em> BS-NR\uff0c\u751a\u81f3\u662fNZ<\/sub><\/em>\u8fb9\u7f18\u91cd\u5efa\u7a33\u5b9aFM\u72b6\u6001\uff0c\u78c1\u77e9\u4e3a1.2 \u03bcB\u3002\u8be5FM\u72b6\u6001\u5728\u5ba4\u6e29\u4e0b\u662f\u7a33\u5b9a\u7684\u3002\u968f\u7740NZ<\/sub><\/em>\u7684\u589e\u52a0\uff0c\u78c1\u77e9\u5468\u671f\u6027\u5730\u57280.1 \u03bcB\u548c1.2 \u03bcB\u4e4b\u95f4\u632f\u8361\u3002\u8fd9\u79cd\u78c1\u6027\u5bf9NR\u5bbd\u5ea6\u7684\u654f\u611f\u4f9d\u8d56\u6027\u53ef\u4ee5\u4e3a\u5355\u5c421T’-MoS2<\/sub> NR\u4e2d\u7684\u4fe1\u606f\u5b58\u50a8\u548c\u81ea\u65cb\u7535\u5b50\u5e94\u7528\u5f00\u8f9f\u65b0\u7684\u673a\u4f1a\u3002<\/p>\n

\u6587\u732e\u94fe\u63a5\uff1a<\/strong>Ferromagnetism of 1T\u2019-MoS2<\/sub> Nanoribbons stabilized by edge reconstruction and its periodic variation on nanoribbons width<\/a><\/strong>\uff08JACS, 2018, DOI: 10.1021\/jacs.8b09247\uff09\u3002<\/p>\n

\u672c\u6587\u7531\u6750\u6599\u4eba\u7f16\u8f91\u90e8\u5f20\u91d1\u6d0b\u7f16\u8bd1\u6574\u7406\u3002<\/p>\n

\u6295\u7a3f\u4ee5\u53ca\u5185\u5bb9\u5408\u4f5c\u53ef\u52a0\u7f16\u8f91\u5fae\u4fe1\uff1a<\/strong>cailiaokefu<\/strong>\uff0c\u6211\u4eec\u4f1a\u9080\u8bf7\u5404\u4f4d\u8001\u5e08\u52a0\u5165\u4e13\u5bb6\u7fa4\u3002<\/strong><\/p>\n

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 <\/p>\n","protected":false},"excerpt":{"rendered":"

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