{"id":45,"date":"2018-08-14T01:58:23","date_gmt":"2018-08-14T01:58:23","guid":{"rendered":"https:\/\/scholarblogs.emory.edu\/echemmuri\/?page_id=45"},"modified":"2018-12-05T16:17:12","modified_gmt":"2018-12-05T16:17:12","slug":"research","status":"publish","type":"page","link":"https:\/\/scholarblogs.emory.edu\/echemmuri\/research\/","title":{"rendered":"RESEARCH"},"content":{"rendered":"<p style=\"text-align: justify\"><img loading=\"lazy\" decoding=\"async\" class=\"alignnone size-full wp-image-198\" src=\"https:\/\/scholarblogs.emory.edu\/echemmuri\/files\/2018\/12\/Thrust1.png\" alt=\"\" width=\"852\" height=\"372\" srcset=\"https:\/\/scholarblogs.emory.edu\/echemmuri\/files\/2018\/12\/Thrust1.png 852w, https:\/\/scholarblogs.emory.edu\/echemmuri\/files\/2018\/12\/Thrust1-300x131.png 300w, https:\/\/scholarblogs.emory.edu\/echemmuri\/files\/2018\/12\/Thrust1-768x335.png 768w, https:\/\/scholarblogs.emory.edu\/echemmuri\/files\/2018\/12\/Thrust1-500x218.png 500w\" sizes=\"auto, (max-width: 852px) 100vw, 852px\" \/><img loading=\"lazy\" decoding=\"async\" class=\"alignnone size-full wp-image-199\" src=\"https:\/\/scholarblogs.emory.edu\/echemmuri\/files\/2018\/12\/Thrust2.png\" alt=\"\" width=\"849\" height=\"375\" srcset=\"https:\/\/scholarblogs.emory.edu\/echemmuri\/files\/2018\/12\/Thrust2.png 849w, https:\/\/scholarblogs.emory.edu\/echemmuri\/files\/2018\/12\/Thrust2-300x133.png 300w, https:\/\/scholarblogs.emory.edu\/echemmuri\/files\/2018\/12\/Thrust2-768x339.png 768w, https:\/\/scholarblogs.emory.edu\/echemmuri\/files\/2018\/12\/Thrust2-500x221.png 500w\" sizes=\"auto, (max-width: 849px) 100vw, 849px\" \/><img loading=\"lazy\" decoding=\"async\" class=\"alignnone size-full wp-image-200\" src=\"https:\/\/scholarblogs.emory.edu\/echemmuri\/files\/2018\/12\/Thrust3.png\" alt=\"\" width=\"849\" height=\"364\" srcset=\"https:\/\/scholarblogs.emory.edu\/echemmuri\/files\/2018\/12\/Thrust3.png 849w, https:\/\/scholarblogs.emory.edu\/echemmuri\/files\/2018\/12\/Thrust3-300x129.png 300w, https:\/\/scholarblogs.emory.edu\/echemmuri\/files\/2018\/12\/Thrust3-768x329.png 768w, https:\/\/scholarblogs.emory.edu\/echemmuri\/files\/2018\/12\/Thrust3-500x214.png 500w\" sizes=\"auto, (max-width: 849px) 100vw, 849px\" \/><img loading=\"lazy\" decoding=\"async\" class=\"alignnone size-full wp-image-201 aligncenter\" src=\"https:\/\/scholarblogs.emory.edu\/echemmuri\/files\/2018\/12\/Thrust4.png\" alt=\"\" width=\"852\" height=\"362\" srcset=\"https:\/\/scholarblogs.emory.edu\/echemmuri\/files\/2018\/12\/Thrust4.png 852w, https:\/\/scholarblogs.emory.edu\/echemmuri\/files\/2018\/12\/Thrust4-300x127.png 300w, https:\/\/scholarblogs.emory.edu\/echemmuri\/files\/2018\/12\/Thrust4-768x326.png 768w, https:\/\/scholarblogs.emory.edu\/echemmuri\/files\/2018\/12\/Thrust4-500x212.png 500w\" sizes=\"auto, (max-width: 852px) 100vw, 852px\" \/><img loading=\"lazy\" decoding=\"async\" class=\"alignnone wp-image-249 size-full\" src=\"https:\/\/scholarblogs.emory.edu\/echemmuri\/files\/2018\/12\/Thrust5-2.png\" alt=\"\" width=\"849\" height=\"364\" srcset=\"https:\/\/scholarblogs.emory.edu\/echemmuri\/files\/2018\/12\/Thrust5-2.png 849w, https:\/\/scholarblogs.emory.edu\/echemmuri\/files\/2018\/12\/Thrust5-2-300x129.png 300w, https:\/\/scholarblogs.emory.edu\/echemmuri\/files\/2018\/12\/Thrust5-2-768x329.png 768w, https:\/\/scholarblogs.emory.edu\/echemmuri\/files\/2018\/12\/Thrust5-2-500x214.png 500w\" sizes=\"auto, (max-width: 849px) 100vw, 849px\" \/><\/p>\n<p>The research is divided into\u00a0the\u00a0five\u00a0closely integrated\u00a0Thrust areas\u00a0described below:<\/p>\n<ul>\n<li><strong>Thrust 1.<\/strong>\u00a0\u00a0To design, build, and commission a multimodal electrochemical\/spectroscopic platform for\u202f<em>operando<\/em>\u202fmolecular-level investigations of electrochemical processes. This platform will integrate the high sensitivity of electrochemical methods, the quantification of mass spectrometry, and the chemical sensitivity and temporal resolution of spectroscopic methods.<\/li>\n<li><strong>Thrust 2.<\/strong>\u00a0\u00a0To develop a wide range of computational tools, including (i) atomistic simulation methods that can quantify adsorbate populations on heterogeneous surface sites and elucidate double layer effects; (ii)\u00a0microkinetic\u00a0models to simulate\u202f<em>i<\/em>-V curves while accounting for\u00a0interfacial heterogeneities and dynamical effects; and (iii) first principles methods to simulate charge transfer reactions at electrochemical interfaces. A\u202fkey component of this thrust is to create an\u202fopen-source software package\u202ffor simulating electrochemical phenomena with sophisticated\u00a0microkinetic\u00a0models that can be parametrized with first principles methods and\u00a0go beyond\u00a0more conventional, and less powerful, existing\u202fcodes.<\/li>\n<li><strong>Thrust 3.<\/strong>\u00a0\u00a0To address unresolved,\u00a0fundamental questions of broad relevance\u00a0regarding\u00a0the\u00a0molecular\u00a0structure and dynamics of electrochemical interfaces. Using\u00a0spectroscopic techniques\u00a0(as developed in Thrust 1), we will measure fundamental properties, including electric fields, dielectric saturation, solvation, and protonation near the interface.\u00a0With support from theory\u00a0(as\u00a0developed in Thrust 2), we will\u00a0develop\u00a0a transformative,\u00a0molecular-scale understanding of\u00a0interfacial environments\u00a0and inner-sphere\u00a0reactivities, especially under operating\u00a0(non-equilibrium)\u00a0conditions.<\/li>\n<li><strong>Thrust 4.<\/strong>\u00a0 To apply the fundamental insights gained in Thrusts 1-3 to a\u00a0case study\u00a0of\u00a0a prototypical\u00a0catalytic\u00a0reaction: the electrochemical oxidation of methanol. Using this important fuel cell reaction as a foundational and tractable model system, we will demonstrate the power of our\u202fmultimodal\u202f<em>operando<\/em>\u202felectrochemical platform and\u202f<em>i<\/em>-V simulation methodology to establish the mechanistic factors that drive selective and efficient complete oxidation of methanol to carbon dioxide, a longstanding goal in both fundamental and practical\u00a0electrocatalysis.<\/li>\n<li><strong>Thrust 5.<\/strong>\u00a0\u00a0To show that the advances from Thrusts 1-4 will allow important progress to be made on a recalcitrant\u00a0electrocatalysis\u00a0problem: the complete\u00a0electrooxidation\u00a0of\u00a0ethanol,\u00a0including the very demanding C\u2013C bond cleavage step. Our new\u00a0approaches\u00a0to\u00a0this important challenge will utilize the tools, fundamental insights of inner-sphere\u00a0electrocatalysis, and specific understanding of methanol oxidation to be developed by this MURI team.<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"size-full wp-image-234 aligncenter\" src=\"https:\/\/scholarblogs.emory.edu\/echemmuri\/files\/2018\/12\/muri.png\" alt=\"\" width=\"1200\" height=\"63\" srcset=\"https:\/\/scholarblogs.emory.edu\/echemmuri\/files\/2018\/12\/muri.png 1200w, https:\/\/scholarblogs.emory.edu\/echemmuri\/files\/2018\/12\/muri-300x16.png 300w, https:\/\/scholarblogs.emory.edu\/echemmuri\/files\/2018\/12\/muri-768x40.png 768w, https:\/\/scholarblogs.emory.edu\/echemmuri\/files\/2018\/12\/muri-1024x54.png 1024w, https:\/\/scholarblogs.emory.edu\/echemmuri\/files\/2018\/12\/muri-500x26.png 500w\" sizes=\"auto, (max-width: 1200px) 100vw, 1200px\" \/><\/p>\n","protected":false},"excerpt":{"rendered":"<p>The research is divided into\u00a0the\u00a0five\u00a0closely integrated\u00a0Thrust areas\u00a0described below: Thrust 1.\u00a0\u00a0To design, build, and commission a multimodal electrochemical\/spectroscopic platform for\u202foperando\u202fmolecular-level investigations of electrochemical processes. This platform will integrate the high sensitivity of electrochemical methods, the quantification of mass spectrometry, and the &hellip; <a href=\"https:\/\/scholarblogs.emory.edu\/echemmuri\/research\/\">Continue reading <span class=\"meta-nav\">&rarr;<\/span><\/a><\/p>\n","protected":false},"author":5449,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-45","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/scholarblogs.emory.edu\/echemmuri\/wp-json\/wp\/v2\/pages\/45","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/scholarblogs.emory.edu\/echemmuri\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/scholarblogs.emory.edu\/echemmuri\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/scholarblogs.emory.edu\/echemmuri\/wp-json\/wp\/v2\/users\/5449"}],"replies":[{"embeddable":true,"href":"https:\/\/scholarblogs.emory.edu\/echemmuri\/wp-json\/wp\/v2\/comments?post=45"}],"version-history":[{"count":27,"href":"https:\/\/scholarblogs.emory.edu\/echemmuri\/wp-json\/wp\/v2\/pages\/45\/revisions"}],"predecessor-version":[{"id":250,"href":"https:\/\/scholarblogs.emory.edu\/echemmuri\/wp-json\/wp\/v2\/pages\/45\/revisions\/250"}],"wp:attachment":[{"href":"https:\/\/scholarblogs.emory.edu\/echemmuri\/wp-json\/wp\/v2\/media?parent=45"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}