<?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%">Reddy, Kasala Prabhakar</style></author><author><style face="normal" font="default" size="100%">Mhamane, Nitin B.</style></author><author><style face="normal" font="default" size="100%">Ghosalya, Manoj Kumar</style></author><author><style face="normal" font="default" size="100%">Gopinath, Chinnakonda S.</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Mapping valence band and interface electronic structure changes during the oxidation of Mo to MoO3 via MoO2 and MoO3 reduction to MoO2: A NAPPES study</style></title><secondary-title><style face="normal" font="default" size="100%">Journal of Physical Chemistry C</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">2018</style></year><pub-dates><date><style  face="normal" font="default" size="100%">OCT</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">122</style></volume><pages><style face="normal" font="default" size="100%">23034-23044</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;Tuning the surface energetics, especially work function (phi) of the materials, is of a great deal of interest for a wide range of surface- and interface-based devices and applications. How the phi of a solid surface changes under the reaction conditions is of paramount interest to the chemists, particularly in the areas of surface dependent phenomena such as, catalysis and electrochemistry. In the present study, by using the valence band and core-level photoelectron spectroscopy, surface-electronic changes from Mo to MoO3 via MoO2 was studied under relevant near-ambient pressure (NAP) and high temperature conditions. A very significant change in phi from Mo to MoO3 was observed and it is well corroborated with the changes in gas-phase vibrational features of O-2 in both near-ambient pressure ultraviolet photoelectron spectra (NAPUPS) as well in NAP X-ray photoelectron spectroscopy. Reversible changes in the electronic structure is observed when MoO3 was reduced in H-2 to MoO2. On the basis of the extent of oxidation/reduction of MoOx NAPUPS has shown, one or two additional peaks in the band gap at 0.6 and 1.6 eV below the Fermi level. Mo5+ features are identified in the VB and in the Mo 3d core levels with distinct features. Mo5+ features are also stable and essential to bridge MoO2 and MoO3 layers, and their co-existence. In addition, characteristic changes in Mo 4d and O 2p features observed from Mo to MoO3 and well corelated to the band gap of MoO3. Oxidation and reduction propagate from the surface to bulk; indeed, this has significant implications in surface-dependent phenomena. The present study demonstrates (a) the uniqueness of NAPUPS in identifying the subtle to large changes in the electronic structure on solid surfaces under common oxidation and reduction (in general, under reaction) conditions, and (b) relevance of NAPUPS to all surface dependent phenomena, such as catalysis and electrochemistry.&lt;/p&gt;</style></abstract><issue><style face="normal" font="default" size="100%">40</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;4.484&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%">Reddy, Kasala Prabhakar</style></author><author><style face="normal" font="default" size="100%">Dama, Srikanth</style></author><author><style face="normal" font="default" size="100%">Mhamane, Nitin B.</style></author><author><style face="normal" font="default" size="100%">Ghosalya, Manoj K.</style></author><author><style face="normal" font="default" size="100%">Raja, Thirumalaiswamy</style></author><author><style face="normal" font="default" size="100%">Satyanarayana, Chilukuri V.</style></author><author><style face="normal" font="default" size="100%">Gopinath, Chinnakonda S.</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%"> Molybdenum carbide catalyst for the reduction of CO2 to CO: surface science aspects by NAPPES and catalysis studies </style></title><secondary-title><style face="normal" font="default" size="100%">Dalton Transactions</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">2019</style></year><pub-dates><date><style  face="normal" font="default" size="100%">AUG</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">48</style></volume><pages><style face="normal" font="default" size="100%">12199-12209</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;Carbon dioxide is &lt;span class=&quot;hitHilite&quot;&gt;a&lt;/span&gt; greenhouse gas, and needs &lt;span class=&quot;hitHilite&quot;&gt;to&lt;/span&gt; be converted into one &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; useful feedstocks, such as carbon monoxide and methanol. We demonstrate &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;reduction&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;CO2&lt;/span&gt; with H-2 as &lt;span class=&quot;hitHilite&quot;&gt;a&lt;/span&gt; reducing agent, via &lt;span class=&quot;hitHilite&quot;&gt;a&lt;/span&gt; reverse water gas shift (RWGS) reaction, &lt;span class=&quot;hitHilite&quot;&gt;by&lt;/span&gt; using &lt;span class=&quot;hitHilite&quot;&gt;a&lt;/span&gt; potential and low cost Mo2C &lt;span class=&quot;hitHilite&quot;&gt;catalyst&lt;/span&gt;. Mo2C was evaluated &lt;span class=&quot;hitHilite&quot;&gt;for&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;CO2&lt;/span&gt; hydrogenation at ambient pressure as &lt;span class=&quot;hitHilite&quot;&gt;a&lt;/span&gt; function &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; temperature, and &lt;span class=&quot;hitHilite&quot;&gt;CO2&lt;/span&gt; : H-2 ratio at &lt;span class=&quot;hitHilite&quot;&gt;a&lt;/span&gt; gas hourly space velocity (GHSV) &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; 20 000 h(-1). It is demonstrated that &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; Mo2C &lt;span class=&quot;hitHilite&quot;&gt;catalyst&lt;/span&gt; with 1 : 3 ratio &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;CO2&lt;/span&gt; : H-2 is highly active (58% &lt;span class=&quot;hitHilite&quot;&gt;CO2&lt;/span&gt; conversion) and selective (62%) towards &lt;span class=&quot;hitHilite&quot;&gt;CO&lt;/span&gt; at 723 K at ambient pressure. Both properties (basicity and redox properties) and &lt;span class=&quot;hitHilite&quot;&gt;high&lt;/span&gt; catalytic &lt;span class=&quot;hitHilite&quot;&gt;activity&lt;/span&gt; observed with Mo2C around 700 K correlate well and indicate &lt;span class=&quot;hitHilite&quot;&gt;a&lt;/span&gt; strong synergy among them towards &lt;span class=&quot;hitHilite&quot;&gt;CO2&lt;/span&gt; activation. X-ray diffraction and Raman analysis show that &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; Mo2C &lt;span class=&quot;hitHilite&quot;&gt;catalyst&lt;/span&gt; remains in &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; beta-Mo2C form before and after &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; reaction. &lt;span class=&quot;hitHilite&quot;&gt;The&lt;/span&gt; mechanistic &lt;span class=&quot;hitHilite&quot;&gt;aspects&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; RWGS reaction were determined &lt;span class=&quot;hitHilite&quot;&gt;by&lt;/span&gt; near-ambient pressure X-ray photoelectron spectroscopy (NAPXPS) with in situ generated Mo2C from carburization &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; Mo-metal foil. NAPXPS measurements were carried out at near ambient pressure (0.1 mbar) and various temperatures. Throughout &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; reaction, no significant changes in &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; Mo2+ oxidation state (&lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; Mo2C) were observed indicating that &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;catalyst&lt;/span&gt; is highly stable; C and O 1s spectral results indicate &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; oxycarbide species as an active intermediate &lt;span class=&quot;hitHilite&quot;&gt;for&lt;/span&gt; RWGS. &lt;span class=&quot;hitHilite&quot;&gt;A&lt;/span&gt; good correlation is observed between catalytic &lt;span class=&quot;hitHilite&quot;&gt;activity&lt;/span&gt; from atmospheric pressure reactors and &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; electronic structure details derived from NAPXPS results, which establishes &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; structure-&lt;span class=&quot;hitHilite&quot;&gt;activity&lt;/span&gt; correlation.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">32</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;&lt;span class=&quot;LrzXr kno-fv&quot;&gt;4.052 &lt;/span&gt;&lt;/p&gt;
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