{"id":214990,"date":"2020-12-23T06:21:06","date_gmt":"2020-12-22T22:21:06","guid":{"rendered":"http:\/\/www.cailiaoniu.com\/?p=214990"},"modified":"2020-12-22T20:30:03","modified_gmt":"2020-12-22T12:30:03","slug":"%e6%ad%a6%e6%b1%89%e5%a4%a7%e5%ad%a6%e9%83%ad%e5%ae%87%e9%93%ae%e5%89%91%e6%a1%a5%e5%a4%a7%e5%ad%a6%e5%bc%a0%e5%8f%ac%e5%af%8c%e7%ad%89afm-%e7%90%86%e8%ae%ba%e6%8f%ad%e7%a4%ba%e5%8d%95%e5%8e%9f","status":"publish","type":"post","link":"http:\/\/www.cailiaoniu.com\/?p=214990","title":{"rendered":"\u6b66\u6c49\u5927\u5b66\u90ed\u5b87\u94ee&\u5251\u6865\u5927\u5b66\u5f20\u53ec\u5bcc\u7b49AFM: \u7406\u8bba\u63ed\u793a\u5355\u539f\u5b50\u50ac\u5316\u5242\u785d\u9178\u76d0\u9009\u62e9\u6027\u5408\u6210\u6c28\u7684\u7535\u50ac\u5316\u673a\u7406"},"content":{"rendered":"

\u5b9e\u73b0\u785d\u9178\u76d0\uff08NO3<\/sub>–<\/sup>\uff09\u7684\u964d\u89e3\u662f\u4e00\u9879\u957f\u671f\u800c\u8270\u5de8\u7684\u4efb\u52a1\u3002\u785d\u9178\u76d0\u7535\u50ac\u5316\u5408\u6210\u6c28(NO3<\/sub>-to-NH3<\/sub>)\u7684\u7535\u5316\u5b66\u8f6c\u5316\u4e3a\u89e3\u51b3\u5f53\u4eca\u80fd\u6e90\u548c\u73af\u5883\u95ee\u9898\u63d0\u4f9b\u4e86\u4e00\u79cd\u6709\u6548\u7b56\u7565\u3002\u6709\u9274\u4e8e\u6b64\uff0c\u6b66\u6c49\u5927\u5b66\u90ed\u5b87\u94ee\u6559\u6388\u8bfe\u9898\u7ec4<\/strong>\u548c\u5251\u6865\u5927\u5b66\u5f20\u53ec\u5bcc\u535a\u58eb<\/strong>\u7b49\u4eba\u501f\u52a9\u4e8e\u7b2c\u4e00\u6027\u539f\u7406\u8ba1\u7b97\uff0c\u7387\u5148\u4ece\u7406\u8bba\u4e0a\u63ed\u793a\u4e86\u5355\u539f\u5b50\u50ac\u5316\u5242\u785d\u9178\u76d0\u9009\u62e9\u6027\u5408\u6210\u6c28\u7684\u7535\u50ac\u5316\u673a\u7406\u3002\u8fd1\u65e5\uff0c\u76f8\u5173\u8bba\u6587\u4ee5\u9898\u4e3a\u201cTheoretical Insights into the Mechanism of Selective Nitrate-to-Ammonia Electroreduction on Single-Atom Catalysts\u201d\u53d1\u8868\u4e8eAdvanced Functional Materials\u3002\u672c\u6587\u7b2c\u4e00\u4f5c\u8005\u4e3a\u6b66\u6c49\u5927\u5b66\u7855\u58eb\u7814\u7a76\u751f\u725b\u6b22\u3002<\/p>\n

\u3010\u7814\u7a76\u80cc\u666f\u3011<\/strong><\/p>\n

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\u3010\u7814\u7a76\u4eae\u70b9\u3011<\/strong><\/p>\n

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2.\u50ac\u5316\u6d3b\u6027\u65b9\u9762\uff0c\u5728Ti\/g-CN\u548cZr\/g-CN\u4e0a\u53ef\u4ee5\u5206\u522b\u5728-0.39\u548c-0.41 V\u7684\u4f4e\u9650\u5236\u7535\u4f4d\u4e0b\u5b9e\u73b0\u9ad8\u6548\u5408\u6210\u6c28\u3002\u540c\u65f6\u5efa\u7acb\u4e86\u706b\u5c71\u56fe\u548c\u7b49\u9ad8\u7ebf\u56fe\u4ee5\u63ed\u793aTM\/g-CN\u4e0a\u7684\u50ac\u5316\u6d3b\u6027\u8d8b\u52bf\u3002<\/p>\n

3.\u9009\u62e9\u6027\u65b9\u9762\uff0c\u89c2\u5bdf\u5230\u76f8\u5f53\u9ad8\u7684\u53cd\u5e94\u80fd\u5792\u963b\u6b62\u4e86\u526f\u4ea7\u7269NO2<\/sub>\uff0cNO\uff0cN2<\/sub>O\u548cN2<\/sub>\u5728Ti\/g-CN\u548cZr\/g-CN\u4e0a\u7684\u5f62\u6210\u3002\u6b64\u5916\uff0c\u5728\u53cd\u5e94\u7535\u4f4d\u4e0b\uff0c\u4e0eH+<\/sup>\u76f8\u6bd4\uff0cNO3<\/sub>–<\/sup>\u5728Ti\/g-CN\u548cZr\/g-CN\u4e0a\u7684\u5438\u9644\u66f4\u6709\u5229\uff0c\u8868\u660eNO3<\/sub>RR\u66f4\u5360\u4f18\u3002<\/p>\n

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\u3010\u56fe\u6587\u89e3\u8bfb\u3011<\/strong><\/p>\n

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\"\"<\/p>\n

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\u56fe<\/strong>2<\/strong>.\uff08a\uff09NO3<\/sub>RR\u7684\u53cd\u5e94\u8def\u5f84\uff08b\uff09\u4e0d\u540cTM\/g-CN\u4e0aNO3<\/sub>RR\u7684\u9650\u5236\u7535\u4f4d\uff08c\uff09TM\/g-CN\u4e0aNO3<\/sub>RR\u7684\u706b\u5c71\u56fe\uff08d\uff09NO3<\/sub>RR\u9650\u5236\u7535\u4f4d\u7684\u7b49\u9ad8\u7ebf\u56fe\u3002<\/p>\n

\"\"<\/p>\n

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\u56fe<\/strong>3<\/strong>.\uff08a\uff09Ti\/g-CN\u548c\uff08b\uff09Zr\/g-CN\u4e0a\u901a\u8fc7N-end\u8def\u5f84\u7684NO3<\/sub>RR\u81ea\u7531\u80fd\u56fe\uff08\u751f\u6210NO2<\/sub>\uff0cNO\uff0cN2<\/sub>O\u548cN2<\/sub>\u7684\u80fd\u5792\u4e00\u5e76\u5217\u51fa\uff09\uff08c\uff09Ti\/g-CN\u548c\uff08d\uff09Zr\/g-CN\u5438\u9644\u7684NO3<\/sub>RR\u4e2d\u95f4\u4f53\u7684\u76f8\u5e94\u7ed3\u6784\uff08N-end\u8def\u5f84\uff09\u3002<\/p>\n

\"\"<\/p>\n

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\u56fe<\/strong>4<\/strong>.\u5728\uff08a\uff09Ti\/g-CN\u548c\uff08b\uff09Zr\/g-CN\u4e0a\u7684NO3<\/sub>–<\/sup>\u7684\u90e8\u5206\u6001\u5bc6\u5ea6\uff08PDOS\uff09\u548c\u6676\u4f53\u54c8\u5bc6\u987f\u5e03\u5c45\uff08pCOHP\uff09\uff08c\uff09Ti\/g-CN\u548c\uff08d\uff09Zr\/g-CN\u5438\u9644\u7684NO3<\/sub>–<\/sup>\u7684\u7535\u8377\u5bc6\u5ea6\u5dee\uff08e\uff09Ti\/g-CN\u548c\uff08f\uff09Zr\/g-CN\u4e0a\u7684NO3<\/sub>RR\u7535\u8377\u53d8\u5316\uff08g\uff09Ti\/g-CN\u548c\uff08h\uff09Zr\/g-CN\u7684AIMD\u6a21\u62df<\/p>\n

\"\"<\/p>\n

PDOS\u548cpCOHP\u7ed3\u679c\u663e\u793a\uff0cTi\/g-CN\u548cZr\/g-CN\u7684 d\u5e26\u4e2d\u5fc3\u4e3a\u6b63\u503c\u4e14\u53cd\u952e\u8f68\u9053\u51e0\u4e4e\u4e3a\u88ab\u586b\u5145\uff0c\u8fd9\u5bfc\u81f4\u4e86\u5bf9NO3<\/sub>–<\/sup>\u7684\u5f3a\u5438\u9644\u3002\u5728NO3<\/sub>–<\/sup>\u5438\u9644\u8fc7\u7a0b\u4e2d\uff0c\u7535\u8377\u7531\u91d1\u5c5e\u5355\u539f\u5b50\u5411NO3<\/sub>–<\/sup>\u8f6c\u79fb\uff0c\u91d1\u5c5e\u5355\u539f\u5b50\u5e26\u6b63\u7535\uff0c\u7535\u8377\u4e3b\u8981\u7531\u57fa\u5e95g-CN\u63d0\u4f9b\uff0c\u5728NO3<\/sub>RR\u53cd\u5e94\u8fc7\u7a0b\u4e2d\u4e5f\u662f\u5982\u6b64\uff0c\u8868\u660e\u4e86\u91d1\u5c5e\u5355\u539f\u5b50\u4f5c\u4e3a\u53cd\u5e94\u6d3b\u6027\u4f4d\u70b9\uff0c\u8d77\u5230\u4e86\u53cd\u5e94\u8fc7\u7a0b\u4e2d\u7535\u8377\u4f20\u9012\u7684\u6865\u6881\u4f5c\u7528\u3002\u53cd\u5e94\u8fc7\u7a0b\u4e2dTi\/g-CN\u548cZr\/g-CN\u7684\u7a33\u5b9a\u6027\u901a\u8fc7AIMD\u6a21\u62df\u5f97\u5230\u4e86\u8bc1\u660e\u3002<\/p>\n

\u3010\u603b\u7ed3\u5c55\u671b\u3011<\/strong><\/p>\n

\u672c\u6587\u901a\u8fc7\u7b2c\u4e00\u6027\u539f\u7406\u8ba1\u7b97\u7cfb\u7edf\u5206\u6790\u4e86\u5355\u539f\u5b50\u50ac\u5316\u5242\u5728NO3<\/sub>RR\u7535\u50ac\u5316\u5408\u6210\u6c28\u7684\u5e94\u7528\u6f5c\u529b\uff0c\u4e3a\u5b9e\u73b0\u9ad8\u6548\u7684\u785d\u9178\u76d0\u964d\u89e3\u548c\u6c28\u5408\u6210\u63d0\u4f9b\u4e86\u65b0\u7684\u673a\u9047\u3002<\/p>\n

\u3010\u6587\u732e\u4fe1\u606f\u3011<\/strong><\/p>\n

Niu, Z. Zhang<\/strong>*<\/sup>, X. Wang, X. Wan, C. Shao, and Y. Guo*<\/sup><\/strong>, Theoretical Insights into the Mechanism of Selective Nitrate-to-Ammonia Electroreduction on Single-Atom Catalyst, Adv. Fun. Mater<\/em>. 2008533 (2020).<\/p>\n

https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/adfm.202008533<\/a><\/p>\n

\u3010\u8865\u5145\u3011<\/strong><\/p>\n

\u90ed\u5b87\u94ee\u6559\u6388\u8bfe\u9898\u7ec4\u957f\u671f\u62db\u6536\u8ba1\u7b97\u6750\u6599\u5b66\u3001\u65b0\u578b\u534a\u5bfc\u4f53\u6750\u6599\u4e0e\u5668\u4ef6\u3001\u5149\u50ac\u5316\u65b0\u80fd\u6e90\u5668\u4ef6<\/strong>\u7b49\u65b9\u5411\u7684\u535a\u58eb\u540e\u7b49\u7814\u7a76\u4eba\u5458\uff0c\u548c\u7855\u58eb\/\u535a\u58eb\u7814\u7a76\u751f\uff0c\u8be6\u60c5\u8bf7\u67e5\u8be2\u62db\u8058\u7684\u5386\u53f2\u94fe\u63a5: \u6b66\u6c49\u5927\u5b66\u90ed\u5b87\u94ee\u6559\u6388\u8bfe\u9898\u7ec4\u62db\u8058\u535a\u58eb\u540e\u4e0e\u91cd\u70b9\u8d44\u52a9\u535a\u58eb\u540ehttps:\/\/mp.weixin.qq.com\/s\/e7GT-O4HBneQypgVJE6jKQ<\/a>\u548c\u6b66\u6c49\u5927\u5b66\u90ed\u5b87\u94ee\u6559\u6388\u8bfe\u9898\u7ec4\u62db\u6536\u7855\u535a\u7814\u7a76\u751f\u4e0e\u62db\u8058\u535a\u58eb\u540ehttps:\/\/mp.weixin.qq.com\/s\/L2ZZ6GWaiTJBFC3qucRA2A<\/a><\/p>\n

\u90ed\u5b87\u94ee\u6559\u6388\u8bfe\u9898\u7ec4\u8fd1\u671f\u6587\u7ae0\u6c47\u603b\uff1a<\/p>\n

[1] Y. Yin, Z. Zhang*<\/sup>, H. Zhong, C. Shao, C. Zhang, J. Robertson, and Y. Guo*<\/sup><\/strong>, Sub 5 nm Tellurium Nanowire Gate\u2013All\u2013Around MOSFETs from First Principles, ACS Appl. Mater. Interfaces<\/em>, (2020)<\/p>\n

[2] H. Niu, Z. Zhang*<\/sup>, X. Wang, X. Wan, C. Shao, and Y. Guo*<\/sup><\/strong>, Theoretical Insights into the Mechanism of Selective Nitrate-to-Ammonia Electroreduction on Single-Atom Catalyst, Adv. Fun. Mater<\/em>. 2008533 (2020) DOI: 10.1002\/adfm.202008533<\/p>\n

[3] Z. Wang, Z Zhang, C. Shao, J. Robertson, S. Liu*<\/sup>, and Y. Guo*<\/sup><\/strong>, Defects and Passivation of the Sub-oxide Layers at SiO2<\/sub>\/4H-SiC(0001) Interface by First-Principles Calculation, IEEE Trans. Electron Devices<\/em> (2020) DOI:10.1109\/TED.2020.3039480<\/p>\n

[4] X. Wang, H. Niu, Y. Liu, C. Shao, J. Robertson, Z. Zhang*<\/sup>, and Y. Guo*<\/sup><\/strong>, Single-Atom Catalysis for CO2<\/sub> Electroreduction on Graphene: A First-Principles Study, Catal. Sci. Technol. <\/em>10, 8465 (2020) DOI: 10.1039\/D0CY01870H<\/p>\n

[5] X. Wan, H. Niu, Y. Yin, X. Wang, C. Shao, Z. Zhang*<\/sup>, and Y. Guo*<\/sup><\/strong>, Enhanced Electrochemical Oxygen Evolution Reaction Activity on Natural Single-atom Catalyst Transition Metal Phthalocyanine: The Substrate Effect, Catal. Sci. Technol. <\/em>10, 8339 (2020) DOI: 10.1039\/D0CY01651A<\/p>\n

[6] S. Xu, Y. Yin, H. Niu, X. Wang, C. Shao, K. Xi, Z. Zhang*<\/sup>, Y. Guo*<\/sup><\/strong>, Adsorption and diffusion of alkali atoms on FeX2<\/sub> (X=Se, S) surfaces for potassium-ion battery applications, Appl. Surf. Sci.<\/em> 536, 147774 (2020)<\/p>\n

[7] H. Niu, X. Wang, C. Shao, Z. Zhang*<\/sup>, and Y. Guo*<\/sup><\/strong>, Computational Screening Single-Atom Catalysts Supported on g-CN for N2<\/sub> Reduction: High Activity and Selectivity, ACS Sustainable Chem. Eng.<\/em> 8, 13749 (2020)<\/p>\n

[8] Z. Wang#<\/sup>, Z. Zhang#<\/sup>, C. Shao, J. Robertson, S. Liu*<\/sup>, and Y. Guo*<\/sup><\/strong>, Tuning the high-\u03ba oxide (HfO2<\/sub>, ZrO2<\/sub>)\/4H-SiC interface properties with a SiO2<\/sub> interlayer for power device applications, Appl. Surf. Sci.<\/em> 527, 146843 (2020)<\/p>\n

[9] Y. Yin, C. Shao, C. Zhang, Z. Zhang*<\/sup>, X. Zhang, J. Robertson and Y. Guo*<\/sup><\/strong>, The Anisotropic Transportation Property of Antimonene MOSFET, ACS Appl. Mater. Interfaces<\/em>, 12, 22378 (2020)<\/p>\n

[10] H. Niu, X. Wang, C. Shao, Y. Liu, Z. Zhang*<\/sup>, and Y. Guo*<\/sup><\/strong>, Revealing the oxygen reduction reaction activity origin of single atoms supported on g-C3<\/sub>N4<\/sub> monolayers: a first-principles study, J. Mater. Chem. A<\/em> 8, 6555 (2020)<\/p>\n

[11] J. Lyu#<\/sup>, J. Pei#<\/sup>, Y. Guo#<\/sup><\/strong>, J. Gong, H. Li*, A New Opportunity for 2D van der Waals Heterostructures: Making Steep\u2010Slope Transistors, Adv. Mater.<\/em> 32, 1906000 (2019)<\/p>\n

\u672c\u6587\u7531\u4f5c\u8005\u4f9b\u7a3f<\/strong><\/p>\n","protected":false},"excerpt":{"rendered":"

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