<?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%">Sarma, Saurav Ch.</style></author><author><style face="normal" font="default" size="100%">Kaja, Sai Manoj</style></author><author><style face="normal" font="default" size="100%">Mishra, Vidyanshu</style></author><author><style face="normal" font="default" size="100%">Vinod, Chathakudath Prabhakaran</style></author><author><style face="normal" font="default" size="100%">Peter, Sebastian C.</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Tweaking palladium electronic structure to attain oxygen reduction activity superior to platinum/C</style></title><secondary-title><style face="normal" font="default" size="100%">ACS Applied Energy Materials</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">d-band center</style></keyword><keyword><style  face="normal" font="default" size="100%">DFT calculation</style></keyword><keyword><style  face="normal" font="default" size="100%">durability</style></keyword><keyword><style  face="normal" font="default" size="100%">EuPd</style></keyword><keyword><style  face="normal" font="default" size="100%">oxygen reduction reaction</style></keyword><keyword><style  face="normal" font="default" size="100%">YbPd</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2020</style></year><pub-dates><date><style  face="normal" font="default" size="100%">JUL</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">3</style></volume><pages><style face="normal" font="default" size="100%">6127-6132</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;Enhancing oxygen reduction (ORR) activity through alloying is crucial to improve the performance of a fuel-cell catalysts. In this work, we have studied the alloying effects of 4f rare-earth (RE) metals with palladium. The modified catalyst exhibits better activity (E-onset = 1 V and E-1/2 = 0.88 V) and higher selectivity toward H2O (similar to 97%) compared to the state-of-the-art catalysts due to complete dissociation of O-2. Hirshfeld charge analysis and 2D-electron localization function reveal improved adsorbate-adsorbent interaction on the catalyst surface. This work paves a strategy to design highly selective non-Pt-based catalysts for the ORR by controlling electronic structures and surface oxide formation.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">7</style></issue><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%">&lt;p&gt;4.473&lt;/p&gt;
</style></custom4></record><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%">Singh, Ashutosh Kumar</style></author><author><style face="normal" font="default" size="100%">Mumbaraddi, Dundappa</style></author><author><style face="normal" font="default" size="100%">Mishra, Vidyanshu</style></author><author><style face="normal" font="default" size="100%">Roy, Soumyabrata</style></author><author><style face="normal" font="default" size="100%">Vinod, C. P.</style></author><author><style face="normal" font="default" size="100%">Peter, Sebastian C.</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Metal deficiency tailored by the 18-electron rule stabilizes metal-based inorganic compounds</style></title><secondary-title><style face="normal" font="default" size="100%">Chemistry of Materials</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">2023</style></year><pub-dates><date><style  face="normal" font="default" size="100%">JUL</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">35</style></volume><pages><style face="normal" font="default" size="100%">6050-6058</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;
	The 18-electron (18-e(-)) rule is typicallyrestrictedto predicting the stability of transition-metal-based complexes. Herein,we report the use of the 18-e(-) to predict the stabilityin a family of intermetallics MNiSn (M = V, Cr, Fe, and Co) crystallizingin the Co1.75Ge structure type. Site deficiencies at theM site obtained from single-crystal X-ray diffraction are understoodas attaining a stable noble gas electronic configuration. The densityfunctional theory -based structure calculation confirms that the deficientstructure is more stable than the ideal occupation available at thecrystal lattice. MnNiSn, which crystallizes in the half-Heusler crystalstructure, depicts the role of covalent radii of the constituent elementsin determining the crystal structure. Using X-ray absorption spectroscopyand X-ray photoelectron spectroscopy, the local structure of the above-mentionedcompounds was also elucidated, supporting the role of deficiency tunedvalence fluctuation to attain a 18-e(-) configurationthat eventually leads to the formation of stable compounds.&lt;/p&gt;
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	Foreign&lt;/p&gt;
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	8.6&lt;/p&gt;
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