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{"title":"Li4SiO4 吸附二氧化碳过程中的离子扩散:惰性标记实验和 DFT 计算","authors":"Tao Deng, Shuzhen Chen, Zongze Lv, Yujie Zheng, Shaojun Xu, Changlei Qin","doi":"10.1103/physrevlett.133.198001","DOIUrl":null,"url":null,"abstract":"<mjx-container ctxtmenu_counter=\"25\" ctxtmenu_oldtabindex=\"1\" jax=\"CHTML\" overflow=\"linebreak\" role=\"tree\" sre-explorer- style=\"font-size: 100.7%;\" tabindex=\"0\"><mjx-math data-semantic-structure=\"(2 0 1)\"><mjx-mrow><mjx-msub data-semantic-children=\"0,1\" data-semantic- data-semantic-owns=\"0 1\" data-semantic-role=\"unknown\" data-semantic-speech=\"upper C upper O 2\" data-semantic-type=\"subscript\"><mjx-mrow><mjx-mi data-semantic-font=\"normal\" data-semantic- data-semantic-parent=\"2\" data-semantic-role=\"unknown\" data-semantic-type=\"identifier\"><mjx-c noic=\"true\" style=\"padding-top: 0.669em;\">C</mjx-c><mjx-c style=\"padding-top: 0.669em;\">O</mjx-c></mjx-mi></mjx-mrow><mjx-script style=\"vertical-align: -0.15em;\"><mjx-mn data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"normal\" data-semantic- data-semantic-parent=\"2\" data-semantic-role=\"integer\" data-semantic-type=\"number\" size=\"s\"><mjx-c>2</mjx-c></mjx-mn></mjx-script></mjx-msub></mjx-mrow></mjx-math></mjx-container> adsorption by <mjx-container ctxtmenu_counter=\"26\" ctxtmenu_oldtabindex=\"1\" jax=\"CHTML\" overflow=\"linebreak\" role=\"tree\" sre-explorer- style=\"font-size: 100.7%;\" tabindex=\"0\"><mjx-math data-semantic-structure=\"(7 (2 0 1) 6 (5 3 4))\"><mjx-mrow data-semantic-annotation=\"clearspeak:unit\" data-semantic-children=\"2,5\" data-semantic-content=\"6\" data-semantic- data-semantic-owns=\"2 6 5\" data-semantic-role=\"implicit\" data-semantic-speech=\"upper L i 4 upper S i upper O 4\" data-semantic-type=\"infixop\"><mjx-msub data-semantic-children=\"0,1\" data-semantic- data-semantic-owns=\"0 1\" data-semantic-parent=\"7\" data-semantic-role=\"unknown\" data-semantic-type=\"subscript\"><mjx-mrow><mjx-mi data-semantic-font=\"normal\" data-semantic- data-semantic-parent=\"2\" data-semantic-role=\"unknown\" data-semantic-type=\"identifier\"><mjx-c noic=\"true\" style=\"padding-top: 0.673em;\">L</mjx-c><mjx-c style=\"padding-top: 0.673em;\">i</mjx-c></mjx-mi></mjx-mrow><mjx-script style=\"vertical-align: -0.15em;\"><mjx-mn data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"normal\" data-semantic- data-semantic-parent=\"2\" data-semantic-role=\"integer\" data-semantic-type=\"number\" size=\"s\"><mjx-c>4</mjx-c></mjx-mn></mjx-script></mjx-msub><mjx-mo data-semantic-added=\"true\" data-semantic- data-semantic-operator=\"infixop,\" data-semantic-parent=\"7\" data-semantic-role=\"multiplication\" data-semantic-type=\"operator\"><mjx-c></mjx-c></mjx-mo><mjx-msub data-semantic-children=\"3,4\" data-semantic- data-semantic-owns=\"3 4\" data-semantic-parent=\"7\" data-semantic-role=\"unknown\" data-semantic-type=\"subscript\"><mjx-mrow><mjx-mi data-semantic-font=\"normal\" data-semantic- data-semantic-parent=\"5\" data-semantic-role=\"unknown\" data-semantic-type=\"identifier\"><mjx-c noic=\"true\" style=\"padding-top: 0.673em;\">S</mjx-c><mjx-c noic=\"true\" style=\"padding-top: 0.673em;\">i</mjx-c><mjx-c style=\"padding-top: 0.673em;\">O</mjx-c></mjx-mi></mjx-mrow><mjx-script style=\"vertical-align: -0.15em;\"><mjx-mn data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"normal\" data-semantic- data-semantic-parent=\"5\" data-semantic-role=\"integer\" data-semantic-type=\"number\" size=\"s\"><mjx-c>4</mjx-c></mjx-mn></mjx-script></mjx-msub></mjx-mrow></mjx-math></mjx-container> has garnered significant attention for its potential in effectively capturing <mjx-container ctxtmenu_counter=\"27\" ctxtmenu_oldtabindex=\"1\" jax=\"CHTML\" overflow=\"linebreak\" role=\"tree\" sre-explorer- style=\"font-size: 100.7%;\" tabindex=\"0\"><mjx-math data-semantic-structure=\"(2 0 1)\"><mjx-mrow><mjx-msub data-semantic-children=\"0,1\" data-semantic- data-semantic-owns=\"0 1\" data-semantic-role=\"unknown\" data-semantic-speech=\"upper C upper O 2\" data-semantic-type=\"subscript\"><mjx-mrow><mjx-mi data-semantic-font=\"normal\" data-semantic- data-semantic-parent=\"2\" data-semantic-role=\"unknown\" data-semantic-type=\"identifier\"><mjx-c noic=\"true\" style=\"padding-top: 0.669em;\">C</mjx-c><mjx-c style=\"padding-top: 0.669em;\">O</mjx-c></mjx-mi></mjx-mrow><mjx-script style=\"vertical-align: -0.15em;\"><mjx-mn data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"normal\" data-semantic- data-semantic-parent=\"2\" data-semantic-role=\"integer\" data-semantic-type=\"number\" size=\"s\"><mjx-c>2</mjx-c></mjx-mn></mjx-script></mjx-msub></mjx-mrow></mjx-math></mjx-container>. The slow diffusion-controlled reaction within the product layer is a key factor affecting <mjx-container ctxtmenu_counter=\"28\" ctxtmenu_oldtabindex=\"1\" jax=\"CHTML\" overflow=\"linebreak\" role=\"tree\" sre-explorer- style=\"font-size: 100.7%;\" tabindex=\"0\"><mjx-math data-semantic-structure=\"(2 0 1)\"><mjx-mrow><mjx-msub data-semantic-children=\"0,1\" data-semantic- data-semantic-owns=\"0 1\" data-semantic-role=\"unknown\" data-semantic-speech=\"upper C upper O 2\" data-semantic-type=\"subscript\"><mjx-mrow><mjx-mi data-semantic-font=\"normal\" data-semantic- data-semantic-parent=\"2\" data-semantic-role=\"unknown\" data-semantic-type=\"identifier\"><mjx-c noic=\"true\" style=\"padding-top: 0.669em;\">C</mjx-c><mjx-c style=\"padding-top: 0.669em;\">O</mjx-c></mjx-mi></mjx-mrow><mjx-script style=\"vertical-align: -0.15em;\"><mjx-mn data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"normal\" data-semantic- data-semantic-parent=\"2\" data-semantic-role=\"integer\" data-semantic-type=\"number\" size=\"s\"><mjx-c>2</mjx-c></mjx-mn></mjx-script></mjx-msub></mjx-mrow></mjx-math></mjx-container> adsorption. However, no research has been conducted to study the diffusion mechanism. Here, ionic diffusion was systematically comprehended through inert-marker experiments and first-principles calculations. An electron probe test clearly captures the movement of inert-marker Pt into the product layer, thus the outward transfer of <mjx-container ctxtmenu_counter=\"29\" ctxtmenu_oldtabindex=\"1\" jax=\"CHTML\" overflow=\"linebreak\" role=\"tree\" sre-explorer- style=\"font-size: 100.7%;\" tabindex=\"0\"><mjx-math data-semantic-structure=\"(4 0 (3 1 2))\"><mjx-mrow><mjx-msup data-semantic-children=\"0,3\" data-semantic- data-semantic-owns=\"0 3\" data-semantic-role=\"latinletter\" data-semantic-speech=\"normal upper O Superscript 2 minus\" data-semantic-type=\"superscript\"><mjx-mrow><mjx-mi data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"normal\" data-semantic- data-semantic-parent=\"4\" data-semantic-role=\"latinletter\" data-semantic-type=\"identifier\"><mjx-c>O</mjx-c></mjx-mi></mjx-mrow><mjx-script style=\"vertical-align: 0.363em;\"><mjx-mrow data-semantic-children=\"1\" data-semantic-content=\"2\" data-semantic- data-semantic-owns=\"1 2\" data-semantic-parent=\"4\" data-semantic-role=\"subtraction\" data-semantic-type=\"postfixop\" size=\"s\"><mjx-mn data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"normal\" data-semantic- data-semantic-parent=\"3\" data-semantic-role=\"integer\" data-semantic-type=\"number\"><mjx-c>2</mjx-c></mjx-mn><mjx-mo data-semantic- data-semantic-operator=\"postfixop,−\" data-semantic-parent=\"3\" data-semantic-role=\"subtraction\" data-semantic-type=\"operator\"><mjx-c>−</mjx-c></mjx-mo></mjx-mrow></mjx-script></mjx-msup></mjx-mrow></mjx-math></mjx-container> and <mjx-container ctxtmenu_counter=\"30\" ctxtmenu_oldtabindex=\"1\" jax=\"CHTML\" overflow=\"linebreak\" role=\"tree\" sre-explorer- style=\"font-size: 100.7%;\" tabindex=\"0\"><mjx-math data-semantic-structure=\"(2 0 1)\"><mjx-mrow><mjx-msup data-semantic-children=\"0,1\" data-semantic- data-semantic-owns=\"0 1\" data-semantic-role=\"unknown\" data-semantic-speech=\"upper L i Superscript plus\" data-semantic-type=\"superscript\"><mjx-mi data-semantic-font=\"normal\" data-semantic- data-semantic-parent=\"2\" data-semantic-role=\"unknown\" data-semantic-type=\"identifier\"><mjx-c noic=\"true\" style=\"padding-top: 0.673em;\">L</mjx-c><mjx-c style=\"padding-top: 0.673em;\">i</mjx-c></mjx-mi><mjx-script style=\"vertical-align: 0.4em;\"><mjx-mo data-semantic- data-semantic-parent=\"2\" data-semantic-role=\"addition\" data-semantic-type=\"operator\" size=\"s\"><mjx-c>+</mjx-c></mjx-mo></mjx-script></mjx-msup></mjx-mrow></mjx-math></mjx-container> ions is proposed to be the dominant diffusion mode. Density functional theory calculations also confirm the diffusion of <mjx-container ctxtmenu_counter=\"31\" ctxtmenu_oldtabindex=\"1\" jax=\"CHTML\" overflow=\"linebreak\" role=\"tree\" sre-explorer- style=\"font-size: 100.7%;\" tabindex=\"0\"><mjx-math data-semantic-structure=\"(4 0 (3 1 2))\"><mjx-mrow><mjx-msup data-semantic-children=\"0,3\" data-semantic- data-semantic-owns=\"0 3\" data-semantic-role=\"latinletter\" data-semantic-speech=\"normal upper O Superscript 2 minus\" data-semantic-type=\"superscript\"><mjx-mi data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"normal\" data-semantic- data-semantic-parent=\"4\" data-semantic-role=\"latinletter\" data-semantic-type=\"identifier\"><mjx-c>O</mjx-c></mjx-mi><mjx-script style=\"vertical-align: 0.363em;\"><mjx-mrow data-semantic-children=\"1\" data-semantic-content=\"2\" data-semantic- data-semantic-owns=\"1 2\" data-semantic-parent=\"4\" data-semantic-role=\"subtraction\" data-semantic-type=\"postfixop\" size=\"s\"><mjx-mn data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"normal\" data-semantic- data-semantic-parent=\"3\" data-semantic-role=\"integer\" data-semantic-type=\"number\"><mjx-c>2</mjx-c></mjx-mn><mjx-mo data-semantic- data-semantic-operator=\"postfixop,−\" data-semantic-parent=\"3\" data-semantic-role=\"subtraction\" data-semantic-type=\"operator\"><mjx-c>−</mjx-c></mjx-mo></mjx-mrow></mjx-script></mjx-msup></mjx-mrow></mjx-math></mjx-container> and <mjx-container ctxtmenu_counter=\"32\" ctxtmenu_oldtabindex=\"1\" jax=\"CHTML\" overflow=\"linebreak\" role=\"tree\" sre-explorer- style=\"font-size: 100.7%;\" tabindex=\"0\"><mjx-math data-semantic-structure=\"(2 0 1)\"><mjx-mrow><mjx-msup data-semantic-children=\"0,1\" data-semantic- data-semantic-owns=\"0 1\" data-semantic-role=\"unknown\" data-semantic-speech=\"upper L i Superscript plus\" data-semantic-type=\"superscript\"><mjx-mi data-semantic-font=\"normal\" data-semantic- data-semantic-parent=\"2\" data-semantic-role=\"unknown\" data-semantic-type=\"identifier\"><mjx-c noic=\"true\" style=\"padding-top: 0.673em;\">L</mjx-c><mjx-c style=\"padding-top: 0.673em;\">i</mjx-c></mjx-mi><mjx-script style=\"vertical-align: 0.4em;\"><mjx-mo data-semantic- data-semantic-parent=\"2\" data-semantic-role=\"addition\" data-semantic-type=\"operator\" size=\"s\"><mjx-c>+</mjx-c></mjx-mo></mjx-script></mjx-msup></mjx-mrow></mjx-math></mjx-container> with the former being the speed controlling step.","PeriodicalId":20069,"journal":{"name":"Physical review letters","volume":null,"pages":null},"PeriodicalIF":8.1000,"publicationDate":"2024-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Ionic Diffusion inCO2Adsorption byLi4SiO4: Inert-Marker Experiment and DFT Calculations\",\"authors\":\"Tao Deng, Shuzhen Chen, Zongze Lv, Yujie Zheng, Shaojun Xu, Changlei Qin\",\"doi\":\"10.1103/physrevlett.133.198001\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<mjx-container ctxtmenu_counter=\\\"25\\\" ctxtmenu_oldtabindex=\\\"1\\\" jax=\\\"CHTML\\\" overflow=\\\"linebreak\\\" role=\\\"tree\\\" sre-explorer- style=\\\"font-size: 100.7%;\\\" tabindex=\\\"0\\\"><mjx-math data-semantic-structure=\\\"(2 0 1)\\\"><mjx-mrow><mjx-msub data-semantic-children=\\\"0,1\\\" data-semantic- data-semantic-owns=\\\"0 1\\\" data-semantic-role=\\\"unknown\\\" data-semantic-speech=\\\"upper C upper O 2\\\" data-semantic-type=\\\"subscript\\\"><mjx-mrow><mjx-mi data-semantic-font=\\\"normal\\\" data-semantic- data-semantic-parent=\\\"2\\\" data-semantic-role=\\\"unknown\\\" data-semantic-type=\\\"identifier\\\"><mjx-c noic=\\\"true\\\" style=\\\"padding-top: 0.669em;\\\">C</mjx-c><mjx-c style=\\\"padding-top: 0.669em;\\\">O</mjx-c></mjx-mi></mjx-mrow><mjx-script style=\\\"vertical-align: -0.15em;\\\"><mjx-mn data-semantic-annotation=\\\"clearspeak:simple\\\" data-semantic-font=\\\"normal\\\" data-semantic- data-semantic-parent=\\\"2\\\" data-semantic-role=\\\"integer\\\" data-semantic-type=\\\"number\\\" size=\\\"s\\\"><mjx-c>2</mjx-c></mjx-mn></mjx-script></mjx-msub></mjx-mrow></mjx-math></mjx-container> adsorption by <mjx-container ctxtmenu_counter=\\\"26\\\" ctxtmenu_oldtabindex=\\\"1\\\" jax=\\\"CHTML\\\" overflow=\\\"linebreak\\\" role=\\\"tree\\\" sre-explorer- style=\\\"font-size: 100.7%;\\\" tabindex=\\\"0\\\"><mjx-math data-semantic-structure=\\\"(7 (2 0 1) 6 (5 3 4))\\\"><mjx-mrow data-semantic-annotation=\\\"clearspeak:unit\\\" data-semantic-children=\\\"2,5\\\" data-semantic-content=\\\"6\\\" data-semantic- data-semantic-owns=\\\"2 6 5\\\" data-semantic-role=\\\"implicit\\\" data-semantic-speech=\\\"upper L i 4 upper S i upper O 4\\\" data-semantic-type=\\\"infixop\\\"><mjx-msub data-semantic-children=\\\"0,1\\\" data-semantic- data-semantic-owns=\\\"0 1\\\" data-semantic-parent=\\\"7\\\" data-semantic-role=\\\"unknown\\\" data-semantic-type=\\\"subscript\\\"><mjx-mrow><mjx-mi data-semantic-font=\\\"normal\\\" data-semantic- data-semantic-parent=\\\"2\\\" data-semantic-role=\\\"unknown\\\" data-semantic-type=\\\"identifier\\\"><mjx-c noic=\\\"true\\\" style=\\\"padding-top: 0.673em;\\\">L</mjx-c><mjx-c style=\\\"padding-top: 0.673em;\\\">i</mjx-c></mjx-mi></mjx-mrow><mjx-script style=\\\"vertical-align: -0.15em;\\\"><mjx-mn data-semantic-annotation=\\\"clearspeak:simple\\\" data-semantic-font=\\\"normal\\\" data-semantic- data-semantic-parent=\\\"2\\\" data-semantic-role=\\\"integer\\\" data-semantic-type=\\\"number\\\" size=\\\"s\\\"><mjx-c>4</mjx-c></mjx-mn></mjx-script></mjx-msub><mjx-mo data-semantic-added=\\\"true\\\" data-semantic- data-semantic-operator=\\\"infixop,\\\" data-semantic-parent=\\\"7\\\" data-semantic-role=\\\"multiplication\\\" data-semantic-type=\\\"operator\\\"><mjx-c></mjx-c></mjx-mo><mjx-msub data-semantic-children=\\\"3,4\\\" data-semantic- data-semantic-owns=\\\"3 4\\\" data-semantic-parent=\\\"7\\\" data-semantic-role=\\\"unknown\\\" data-semantic-type=\\\"subscript\\\"><mjx-mrow><mjx-mi data-semantic-font=\\\"normal\\\" data-semantic- data-semantic-parent=\\\"5\\\" data-semantic-role=\\\"unknown\\\" data-semantic-type=\\\"identifier\\\"><mjx-c noic=\\\"true\\\" style=\\\"padding-top: 0.673em;\\\">S</mjx-c><mjx-c noic=\\\"true\\\" style=\\\"padding-top: 0.673em;\\\">i</mjx-c><mjx-c style=\\\"padding-top: 0.673em;\\\">O</mjx-c></mjx-mi></mjx-mrow><mjx-script style=\\\"vertical-align: -0.15em;\\\"><mjx-mn data-semantic-annotation=\\\"clearspeak:simple\\\" data-semantic-font=\\\"normal\\\" data-semantic- data-semantic-parent=\\\"5\\\" data-semantic-role=\\\"integer\\\" data-semantic-type=\\\"number\\\" size=\\\"s\\\"><mjx-c>4</mjx-c></mjx-mn></mjx-script></mjx-msub></mjx-mrow></mjx-math></mjx-container> has garnered significant attention for its potential in effectively capturing <mjx-container ctxtmenu_counter=\\\"27\\\" ctxtmenu_oldtabindex=\\\"1\\\" jax=\\\"CHTML\\\" overflow=\\\"linebreak\\\" role=\\\"tree\\\" sre-explorer- style=\\\"font-size: 100.7%;\\\" tabindex=\\\"0\\\"><mjx-math data-semantic-structure=\\\"(2 0 1)\\\"><mjx-mrow><mjx-msub data-semantic-children=\\\"0,1\\\" data-semantic- data-semantic-owns=\\\"0 1\\\" data-semantic-role=\\\"unknown\\\" data-semantic-speech=\\\"upper C upper O 2\\\" data-semantic-type=\\\"subscript\\\"><mjx-mrow><mjx-mi data-semantic-font=\\\"normal\\\" data-semantic- data-semantic-parent=\\\"2\\\" data-semantic-role=\\\"unknown\\\" data-semantic-type=\\\"identifier\\\"><mjx-c noic=\\\"true\\\" style=\\\"padding-top: 0.669em;\\\">C</mjx-c><mjx-c style=\\\"padding-top: 0.669em;\\\">O</mjx-c></mjx-mi></mjx-mrow><mjx-script style=\\\"vertical-align: -0.15em;\\\"><mjx-mn data-semantic-annotation=\\\"clearspeak:simple\\\" data-semantic-font=\\\"normal\\\" data-semantic- data-semantic-parent=\\\"2\\\" data-semantic-role=\\\"integer\\\" data-semantic-type=\\\"number\\\" size=\\\"s\\\"><mjx-c>2</mjx-c></mjx-mn></mjx-script></mjx-msub></mjx-mrow></mjx-math></mjx-container>. The slow diffusion-controlled reaction within the product layer is a key factor affecting <mjx-container ctxtmenu_counter=\\\"28\\\" ctxtmenu_oldtabindex=\\\"1\\\" jax=\\\"CHTML\\\" overflow=\\\"linebreak\\\" role=\\\"tree\\\" sre-explorer- style=\\\"font-size: 100.7%;\\\" tabindex=\\\"0\\\"><mjx-math data-semantic-structure=\\\"(2 0 1)\\\"><mjx-mrow><mjx-msub data-semantic-children=\\\"0,1\\\" data-semantic- data-semantic-owns=\\\"0 1\\\" data-semantic-role=\\\"unknown\\\" data-semantic-speech=\\\"upper C upper O 2\\\" data-semantic-type=\\\"subscript\\\"><mjx-mrow><mjx-mi data-semantic-font=\\\"normal\\\" data-semantic- data-semantic-parent=\\\"2\\\" data-semantic-role=\\\"unknown\\\" data-semantic-type=\\\"identifier\\\"><mjx-c noic=\\\"true\\\" style=\\\"padding-top: 0.669em;\\\">C</mjx-c><mjx-c style=\\\"padding-top: 0.669em;\\\">O</mjx-c></mjx-mi></mjx-mrow><mjx-script style=\\\"vertical-align: -0.15em;\\\"><mjx-mn data-semantic-annotation=\\\"clearspeak:simple\\\" data-semantic-font=\\\"normal\\\" data-semantic- data-semantic-parent=\\\"2\\\" data-semantic-role=\\\"integer\\\" data-semantic-type=\\\"number\\\" size=\\\"s\\\"><mjx-c>2</mjx-c></mjx-mn></mjx-script></mjx-msub></mjx-mrow></mjx-math></mjx-container> adsorption. However, no research has been conducted to study the diffusion mechanism. Here, ionic diffusion was systematically comprehended through inert-marker experiments and first-principles calculations. An electron probe test clearly captures the movement of inert-marker Pt into the product layer, thus the outward transfer of <mjx-container ctxtmenu_counter=\\\"29\\\" ctxtmenu_oldtabindex=\\\"1\\\" jax=\\\"CHTML\\\" overflow=\\\"linebreak\\\" role=\\\"tree\\\" sre-explorer- style=\\\"font-size: 100.7%;\\\" tabindex=\\\"0\\\"><mjx-math data-semantic-structure=\\\"(4 0 (3 1 2))\\\"><mjx-mrow><mjx-msup data-semantic-children=\\\"0,3\\\" data-semantic- data-semantic-owns=\\\"0 3\\\" data-semantic-role=\\\"latinletter\\\" data-semantic-speech=\\\"normal upper O Superscript 2 minus\\\" data-semantic-type=\\\"superscript\\\"><mjx-mrow><mjx-mi data-semantic-annotation=\\\"clearspeak:simple\\\" data-semantic-font=\\\"normal\\\" data-semantic- data-semantic-parent=\\\"4\\\" data-semantic-role=\\\"latinletter\\\" data-semantic-type=\\\"identifier\\\"><mjx-c>O</mjx-c></mjx-mi></mjx-mrow><mjx-script style=\\\"vertical-align: 0.363em;\\\"><mjx-mrow data-semantic-children=\\\"1\\\" data-semantic-content=\\\"2\\\" data-semantic- data-semantic-owns=\\\"1 2\\\" data-semantic-parent=\\\"4\\\" data-semantic-role=\\\"subtraction\\\" data-semantic-type=\\\"postfixop\\\" size=\\\"s\\\"><mjx-mn data-semantic-annotation=\\\"clearspeak:simple\\\" data-semantic-font=\\\"normal\\\" data-semantic- data-semantic-parent=\\\"3\\\" data-semantic-role=\\\"integer\\\" data-semantic-type=\\\"number\\\"><mjx-c>2</mjx-c></mjx-mn><mjx-mo data-semantic- data-semantic-operator=\\\"postfixop,−\\\" data-semantic-parent=\\\"3\\\" data-semantic-role=\\\"subtraction\\\" data-semantic-type=\\\"operator\\\"><mjx-c>−</mjx-c></mjx-mo></mjx-mrow></mjx-script></mjx-msup></mjx-mrow></mjx-math></mjx-container> and <mjx-container ctxtmenu_counter=\\\"30\\\" ctxtmenu_oldtabindex=\\\"1\\\" jax=\\\"CHTML\\\" overflow=\\\"linebreak\\\" role=\\\"tree\\\" sre-explorer- style=\\\"font-size: 100.7%;\\\" tabindex=\\\"0\\\"><mjx-math data-semantic-structure=\\\"(2 0 1)\\\"><mjx-mrow><mjx-msup data-semantic-children=\\\"0,1\\\" data-semantic- data-semantic-owns=\\\"0 1\\\" data-semantic-role=\\\"unknown\\\" data-semantic-speech=\\\"upper L i Superscript plus\\\" data-semantic-type=\\\"superscript\\\"><mjx-mi data-semantic-font=\\\"normal\\\" data-semantic- data-semantic-parent=\\\"2\\\" data-semantic-role=\\\"unknown\\\" data-semantic-type=\\\"identifier\\\"><mjx-c noic=\\\"true\\\" style=\\\"padding-top: 0.673em;\\\">L</mjx-c><mjx-c style=\\\"padding-top: 0.673em;\\\">i</mjx-c></mjx-mi><mjx-script style=\\\"vertical-align: 0.4em;\\\"><mjx-mo data-semantic- data-semantic-parent=\\\"2\\\" data-semantic-role=\\\"addition\\\" data-semantic-type=\\\"operator\\\" size=\\\"s\\\"><mjx-c>+</mjx-c></mjx-mo></mjx-script></mjx-msup></mjx-mrow></mjx-math></mjx-container> ions is proposed to be the dominant diffusion mode. Density functional theory calculations also confirm the diffusion of <mjx-container ctxtmenu_counter=\\\"31\\\" ctxtmenu_oldtabindex=\\\"1\\\" jax=\\\"CHTML\\\" overflow=\\\"linebreak\\\" role=\\\"tree\\\" sre-explorer- style=\\\"font-size: 100.7%;\\\" tabindex=\\\"0\\\"><mjx-math data-semantic-structure=\\\"(4 0 (3 1 2))\\\"><mjx-mrow><mjx-msup data-semantic-children=\\\"0,3\\\" data-semantic- data-semantic-owns=\\\"0 3\\\" data-semantic-role=\\\"latinletter\\\" data-semantic-speech=\\\"normal upper O Superscript 2 minus\\\" data-semantic-type=\\\"superscript\\\"><mjx-mi data-semantic-annotation=\\\"clearspeak:simple\\\" data-semantic-font=\\\"normal\\\" data-semantic- data-semantic-parent=\\\"4\\\" data-semantic-role=\\\"latinletter\\\" data-semantic-type=\\\"identifier\\\"><mjx-c>O</mjx-c></mjx-mi><mjx-script style=\\\"vertical-align: 0.363em;\\\"><mjx-mrow data-semantic-children=\\\"1\\\" data-semantic-content=\\\"2\\\" data-semantic- data-semantic-owns=\\\"1 2\\\" data-semantic-parent=\\\"4\\\" data-semantic-role=\\\"subtraction\\\" data-semantic-type=\\\"postfixop\\\" size=\\\"s\\\"><mjx-mn data-semantic-annotation=\\\"clearspeak:simple\\\" data-semantic-font=\\\"normal\\\" data-semantic- data-semantic-parent=\\\"3\\\" data-semantic-role=\\\"integer\\\" data-semantic-type=\\\"number\\\"><mjx-c>2</mjx-c></mjx-mn><mjx-mo data-semantic- data-semantic-operator=\\\"postfixop,−\\\" data-semantic-parent=\\\"3\\\" data-semantic-role=\\\"subtraction\\\" data-semantic-type=\\\"operator\\\"><mjx-c>−</mjx-c></mjx-mo></mjx-mrow></mjx-script></mjx-msup></mjx-mrow></mjx-math></mjx-container> and <mjx-container ctxtmenu_counter=\\\"32\\\" ctxtmenu_oldtabindex=\\\"1\\\" jax=\\\"CHTML\\\" overflow=\\\"linebreak\\\" role=\\\"tree\\\" sre-explorer- style=\\\"font-size: 100.7%;\\\" tabindex=\\\"0\\\"><mjx-math data-semantic-structure=\\\"(2 0 1)\\\"><mjx-mrow><mjx-msup data-semantic-children=\\\"0,1\\\" data-semantic- data-semantic-owns=\\\"0 1\\\" data-semantic-role=\\\"unknown\\\" data-semantic-speech=\\\"upper L i Superscript plus\\\" data-semantic-type=\\\"superscript\\\"><mjx-mi data-semantic-font=\\\"normal\\\" data-semantic- data-semantic-parent=\\\"2\\\" data-semantic-role=\\\"unknown\\\" data-semantic-type=\\\"identifier\\\"><mjx-c noic=\\\"true\\\" style=\\\"padding-top: 0.673em;\\\">L</mjx-c><mjx-c style=\\\"padding-top: 0.673em;\\\">i</mjx-c></mjx-mi><mjx-script style=\\\"vertical-align: 0.4em;\\\"><mjx-mo data-semantic- data-semantic-parent=\\\"2\\\" data-semantic-role=\\\"addition\\\" data-semantic-type=\\\"operator\\\" size=\\\"s\\\"><mjx-c>+</mjx-c></mjx-mo></mjx-script></mjx-msup></mjx-mrow></mjx-math></mjx-container> with the former being the speed controlling step.\",\"PeriodicalId\":20069,\"journal\":{\"name\":\"Physical review letters\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":8.1000,\"publicationDate\":\"2024-11-04\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Physical review letters\",\"FirstCategoryId\":\"101\",\"ListUrlMain\":\"https://doi.org/10.1103/physrevlett.133.198001\",\"RegionNum\":1,\"RegionCategory\":\"物理与天体物理\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"PHYSICS, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Physical review letters","FirstCategoryId":"101","ListUrlMain":"https://doi.org/10.1103/physrevlett.133.198001","RegionNum":1,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"PHYSICS, MULTIDISCIPLINARY","Score":null,"Total":0}
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