<?xml version="1.0" encoding="UTF-8"?><xml><records><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Maibam, Ashakiran</style></author><author><style face="normal" font="default" size="100%">Krishnamurty, Sailaja</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Nitrogen activation to reduction on a recyclable V-SAC/BN-graphene heterocatalyst sifted through dual and multiphilic descriptors</style></title><secondary-title><style face="normal" font="default" size="100%">Journal of Colloid and Interface Science</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">2021</style></year><pub-dates><date><style  face="normal" font="default" size="100%">MAY</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">600</style></volume><pages><style face="normal" font="default" size="100%">480-491</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;&lt;span style=&quot;color: rgb(33, 33, 33); font-family: BlinkMacSystemFont, -apple-system, &amp;quot;Segoe UI&amp;quot;, Roboto, Oxygen, Ubuntu, Cantarell, &amp;quot;Fira Sans&amp;quot;, &amp;quot;Droid Sans&amp;quot;, &amp;quot;Helvetica Neue&amp;quot;, sans-serif; font-size: 16px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400;&quot;&gt;Efficient reduction of nitrogen to ammonia at a minimal cost would require a recherche catalyst tailored by assimilating the inherent electronic and reactive nature of Single Atom Catalysts (SACs) on heteroatom doped-graphene. A full-scale DFT study accounting for disparate descriptions of atomic orbitals and representation of support, has been carried out to identify the most active and recyclable SAC/B-graphene composite as catalyst for Nitrogen Reduction Reaction (NRR). Dual and Multiphilic descriptors derived reactivity pattern of six different metal SACs V, Fe, Ni, Ru, W and Re on periodic and non-periodic paradigms of pristine and BN-pair doped graphene supports, align with the calculated chemisorption efficacy and activation of N&lt;/span&gt;&lt;span style=&quot;box-sizing: inherit; font-size: 12px; line-height: 0; position: relative; bottom: -0.25em; color: rgb(33, 33, 33); font-family: BlinkMacSystemFont, -apple-system, &amp;quot;Segoe UI&amp;quot;, Roboto, Oxygen, Ubuntu, Cantarell, &amp;quot;Fira Sans&amp;quot;, &amp;quot;Droid Sans&amp;quot;, &amp;quot;Helvetica Neue&amp;quot;, sans-serif; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400;&quot;&gt;2&lt;/span&gt;&lt;span style=&quot;color: rgb(33, 33, 33); font-family: BlinkMacSystemFont, -apple-system, &amp;quot;Segoe UI&amp;quot;, Roboto, Oxygen, Ubuntu, Cantarell, &amp;quot;Fira Sans&amp;quot;, &amp;quot;Droid Sans&amp;quot;, &amp;quot;Helvetica Neue&amp;quot;, sans-serif; font-size: 16px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400;&quot;&gt;. The enzymatic route of nitrogen reduction on three most ideal metal SACs (V, W and Re) culminates Vanadium SAC, a relatively cheaper metal, anchored on BNring-graphene with an energy barrier of ⩽1.24 eV as a highly active and recyclable catalyst for NRR.&lt;/span&gt;&lt;/p&gt;</style></abstract><work-type><style face="normal" font="default" size="100%">Article</style></work-type><custom3><style face="normal" font="default" size="100%">&lt;p&gt;Foreign&lt;/p&gt;</style></custom3><custom4><style face="normal" font="default" size="100%">8.128</style></custom4></record></records></xml>