{"id":58,"date":"2021-09-06T14:47:32","date_gmt":"2021-09-06T18:47:32","guid":{"rendered":"https:\/\/sites.nd.edu\/andy-wang\/?page_id=58"},"modified":"2021-10-03T13:52:42","modified_gmt":"2021-10-03T17:52:42","slug":"ionic-liquid-design","status":"publish","type":"page","link":"https:\/\/sites.nd.edu\/andy-wang\/ionic-liquid-design\/","title":{"rendered":"Ionic Liquid Design"},"content":{"rendered":"\n<figure class=\"wp-block-image size-large\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"414\" src=\"https:\/\/sites.nd.edu\/andy-wang\/files\/2021\/09\/fig1-1024x414.jpg\" alt=\"\" class=\"wp-image-301\" srcset=\"https:\/\/sites.nd.edu\/andy-wang\/files\/2021\/09\/fig1-1024x414.jpg 1024w, https:\/\/sites.nd.edu\/andy-wang\/files\/2021\/09\/fig1-300x121.jpg 300w, https:\/\/sites.nd.edu\/andy-wang\/files\/2021\/09\/fig1-768x311.jpg 768w, https:\/\/sites.nd.edu\/andy-wang\/files\/2021\/09\/fig1-1536x622.jpg 1536w, https:\/\/sites.nd.edu\/andy-wang\/files\/2021\/09\/fig1-2048x829.jpg 2048w\" sizes=\"auto, (max-width: 1024px) 100vw, 1024px\" \/><\/figure>\n\n\n\n<p>Ionic Liquids (ILs) have shown to be a promising alternative to the state-of-the-art electrolytes for Li-metal and Li-ion batteries (LIBs). In an attempt to overcome the strong interactions between the IL anion and the Li<sup>+<\/sup> cation and improve battery performance, we studied several &#8220;asymmetric&#8221; ILs by grafting two widely used anions into one molecule.<\/p>\n\n\n\n<hr class=\"wp-block-separator\" \/>\n\n\n\n<figure class=\"wp-block-image size-large is-resized\"><img loading=\"lazy\" decoding=\"async\" src=\"https:\/\/sites.nd.edu\/andy-wang\/files\/2021\/10\/fig2-1024x1024.png\" alt=\"\" class=\"wp-image-358\" width=\"840\" height=\"840\" srcset=\"https:\/\/sites.nd.edu\/andy-wang\/files\/2021\/10\/fig2-1024x1024.png 1024w, https:\/\/sites.nd.edu\/andy-wang\/files\/2021\/10\/fig2-300x300.png 300w, https:\/\/sites.nd.edu\/andy-wang\/files\/2021\/10\/fig2-150x150.png 150w, https:\/\/sites.nd.edu\/andy-wang\/files\/2021\/10\/fig2-768x768.png 768w, https:\/\/sites.nd.edu\/andy-wang\/files\/2021\/10\/fig2.png 1200w\" sizes=\"auto, (max-width: 840px) 100vw, 840px\" \/><\/figure>\n\n\n\n<figure class=\"wp-block-image size-large\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"1024\" src=\"https:\/\/sites.nd.edu\/andy-wang\/files\/2021\/10\/fig3-1024x1024.png\" alt=\"\" class=\"wp-image-359\" srcset=\"https:\/\/sites.nd.edu\/andy-wang\/files\/2021\/10\/fig3-1024x1024.png 1024w, https:\/\/sites.nd.edu\/andy-wang\/files\/2021\/10\/fig3-300x300.png 300w, https:\/\/sites.nd.edu\/andy-wang\/files\/2021\/10\/fig3-150x150.png 150w, https:\/\/sites.nd.edu\/andy-wang\/files\/2021\/10\/fig3-768x768.png 768w, https:\/\/sites.nd.edu\/andy-wang\/files\/2021\/10\/fig3.png 1200w\" sizes=\"auto, (max-width: 1024px) 100vw, 1024px\" \/><\/figure>\n\n\n\n<p>By comparing with experimental results in this work and in the literature, we found that our MD model agreed well in terms of densities and viscosities under different temperatures.<\/p>\n\n\n\n<hr class=\"wp-block-separator\" \/>\n\n\n\n<figure class=\"wp-block-image size-large\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"970\" src=\"https:\/\/sites.nd.edu\/andy-wang\/files\/2021\/09\/Screen-Shot-2021-09-24-at-5.33.48-PM-1024x970.png\" alt=\"\" class=\"wp-image-307\" srcset=\"https:\/\/sites.nd.edu\/andy-wang\/files\/2021\/09\/Screen-Shot-2021-09-24-at-5.33.48-PM-1024x970.png 1024w, https:\/\/sites.nd.edu\/andy-wang\/files\/2021\/09\/Screen-Shot-2021-09-24-at-5.33.48-PM-300x284.png 300w, https:\/\/sites.nd.edu\/andy-wang\/files\/2021\/09\/Screen-Shot-2021-09-24-at-5.33.48-PM-768x728.png 768w, https:\/\/sites.nd.edu\/andy-wang\/files\/2021\/09\/Screen-Shot-2021-09-24-at-5.33.48-PM.png 1294w\" sizes=\"auto, (max-width: 1024px) 100vw, 1024px\" \/><\/figure>\n\n\n\n<p>By using radial distribution functions (RDF) and coordination numbers (CN) of Lithium ions in different ionic liquids, we were able to provide optimal anion-to-cation cluster structures at molecular levels.<\/p>\n\n\n\n<hr class=\"wp-block-separator\" \/>\n\n\n\n<figure class=\"wp-block-image size-large\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"612\" src=\"https:\/\/sites.nd.edu\/andy-wang\/files\/2021\/09\/Screen-Shot-2021-09-24-at-5.47.57-PM-1024x612.png\" alt=\"\" class=\"wp-image-310\" srcset=\"https:\/\/sites.nd.edu\/andy-wang\/files\/2021\/09\/Screen-Shot-2021-09-24-at-5.47.57-PM-1024x612.png 1024w, https:\/\/sites.nd.edu\/andy-wang\/files\/2021\/09\/Screen-Shot-2021-09-24-at-5.47.57-PM-300x179.png 300w, https:\/\/sites.nd.edu\/andy-wang\/files\/2021\/09\/Screen-Shot-2021-09-24-at-5.47.57-PM-768x459.png 768w, https:\/\/sites.nd.edu\/andy-wang\/files\/2021\/09\/Screen-Shot-2021-09-24-at-5.47.57-PM-1536x918.png 1536w, https:\/\/sites.nd.edu\/andy-wang\/files\/2021\/09\/Screen-Shot-2021-09-24-at-5.47.57-PM.png 1938w\" sizes=\"auto, (max-width: 1024px) 100vw, 1024px\" \/><\/figure>\n\n\n\n<p>The spatial distribution was used to extract and show the information of how lithium or other cations are distributed around different anions. These are molecular events that are hardly captured by experiments, however, they are essential to elucidate ILs&#8217; properties and provide guidance on designing new ILs.<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Ionic Liquids (ILs) have shown to be a promising alternative to the state-of-the-art electrolytes for Li-metal and Li-ion batteries (LIBs). In an attempt to overcome the strong interactions between the IL anion and the Li+ cation and improve battery performance, we studied several &#8220;asymmetric&#8221; ILs by grafting two widely used anions into one molecule. By [&hellip;]<\/p>\n","protected":false},"author":4026,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-58","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/sites.nd.edu\/andy-wang\/wp-json\/wp\/v2\/pages\/58","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/sites.nd.edu\/andy-wang\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/sites.nd.edu\/andy-wang\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/sites.nd.edu\/andy-wang\/wp-json\/wp\/v2\/users\/4026"}],"replies":[{"embeddable":true,"href":"https:\/\/sites.nd.edu\/andy-wang\/wp-json\/wp\/v2\/comments?post=58"}],"version-history":[{"count":8,"href":"https:\/\/sites.nd.edu\/andy-wang\/wp-json\/wp\/v2\/pages\/58\/revisions"}],"predecessor-version":[{"id":361,"href":"https:\/\/sites.nd.edu\/andy-wang\/wp-json\/wp\/v2\/pages\/58\/revisions\/361"}],"wp:attachment":[{"href":"https:\/\/sites.nd.edu\/andy-wang\/wp-json\/wp\/v2\/media?parent=58"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}