Boron Nitride‐supported Sub‐nanometer Pd        <sub >6</sub>6        Clusters for Formic Acid Decomposition: A DFT Study

摘要

Abstract > A periodic, self‐consistent planewave DFT study was carried out to explore the potential use of Pd <sub>6</sub> clusters supported on a boron nitride sheet as a catalyst for the selective decomposition of formic acid (HCOOH) to CO <sub>2</sub> and H <sub>2</sub> . The competition between formate (HCOO) and carboxyl (COOH) paths on catalytic sites, with different proximities to the support, was studied. Based on energetics alone, the reaction may mainly follow the HCOO route. Slightly lower activation energies were found at the lateral sites of the cluster as compared to top face sites. This is particularly true for the bidentate to monodentate HCOO conversion. Through comparison of results with similar studies on HCOOH decomposition on extended Pd surfaces, it was demonstrated that the existence of undercoordinated sites in the sub‐nanometer cluster could play a key role in preferentially stabilizing HCOO over COOH, which is a common CO precursor in this reaction. A hydrogen spillover mechanism was also investigated; migration toward the boron nitride support is not favorable, at least in the early stages of the reaction. However, hydrogen diffusion on the cluster has low barriers compared to those involved in formic acid decomposition. </abstract> </span> <span class="z_kbtn z_kbtnclass hoverxs" style="display: none;">展开▼</span> </div> <div class="translation abstracttxt"> <span class="zhankaihshouqi fivelineshidden" id="abstract"> <span>机译：</span><Abstract Type =“Main”XML：Lang =“en”> <标题类型=“main”>抽象</ title> > 进行定期，自我一致的平面波DFT研究，以探索PD的潜在使用 <sub> 6 </ sub> 氮化硼片支撑簇作为丙烯酸（HCOOH）的选择性分解的催化剂。 <sub> 2 </ sub> 和H. <sub> 2 </ sub> 。研究了催化位点（HCOO）和羧基（COOH）致催化位点的竞争，具有不同邻近载体的途径。仅基于精力充沛，反应主要遵循HCOO路线。与顶部面部位相比，在簇的横向位点发现略低较低的活化能量。这对于二齿来单常工的HCOO转换尤其如此。通过对延伸的Pd表面上的HCOOH分解的类似研究的结果进行比较，证明了亚纳米簇中的底座位点的存在可以在优先稳定HCOO上通过COOH发挥关键作用，这是其中的常见CO前体反应。还研究了氢溢出机制;朝向氮化硼载体的迁移是不利的，至少在反应的早期阶段。然而，与参与甲酸分解的人相比，簇上的氢气扩散具有低障碍。 </ p> </摘要> </span> <span class="z_kbtn z_kbtnclass hoverxs" style="display: none;">展开▼</span> </div> </div> <div class="record"> <h2 class="all_title" id="enpatent33" > 著录项</h2> <ul> <li> <span class="lefttit">来源</span> <div style="width: 86%;vertical-align: text-top;display: inline-block;"> <a href='/journal-foreign-16041/'>《ChemCatChem 》</a> <b style="margin: 0 2px;">|</b><span>2017年第9期</span><b style="margin: 0 2px;">|</b> <span>共11页</span> </div> </li> <li> <div class="author"> <span class="lefttit">作者</span> <p id="fAuthorthree" class="threelineshidden zhankaihshouqi"> </p> <span class="z_kbtnclass z_kbtnclassall hoverxs" id="zkzz" style="display: none;">展开▼</span> </div> </li> <li> <div style="display: flex;"> <span class="lefttit">作者单位</span> <div style="position: relative;margin-left: 3px;max-width: 639px;"> <div class="threelineshidden zhankaihshouqi" id="fOrgthree"> </div> <span class="z_kbtnclass z_kbtnclassall hoverxs" id="zhdw" style="display: none;">展开▼</span> </div> </div> </li> <li> <span class="lefttit">收录信息</span> <span style="width: 86%;vertical-align: text-top;display: inline-block;"></span> </li> <li> <span class="lefttit">原文格式</span> <span>PDF</span> </li> <li> <span class="lefttit">正文语种</span> <span>eng</span> </li> <li> <span class="lefttit">中图分类</span> <span> <a href="https://www.zhangqiaokeyan.com/clc/1186.html" title="物理化学（理论化学）、化学物理学">物理化学（理论化学）、化学物理学 ;</a></span> </li> <li class="antistop"> <span class="lefttit">关键词</span> <p style="width: 86%;vertical-align: text-top;"> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=boron nitride&option=203" rel="nofollow">boron nitride;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=DFT&option=203" rel="nofollow">DFT;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=formic acid&option=203" rel="nofollow">formic acid;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=palladium&option=203" rel="nofollow">palladium;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=sub-nanometer clusters&option=203" rel="nofollow">sub-nanometer clusters;</a> </p> <div class="translation"> 机译：氮化硼;DFT;甲酸;钯;子纳米簇; </div> </li> </ul> </div> </div> <div class="literature cardcommon"> <div class="similarity "> <h3 class="all_title" id="enpatent66">相似文献</h3> <div class="similaritytab clearfix"> <ul> <li class="active" >外文文献</li> <li >中文文献</li> <li >专利</li> </ul> </div> <div class="similarity_details"> <ul > <li> <div> <b>1. </b><a class="enjiyixqcontent" href="/journal-foreign-detail/0704022057685.html">Boron Nitride‐supported Sub‐nanometer Pd <sub >6</sub>6 Clusters for Formic Acid Decomposition: A DFT Study</a> <b>[J]</b> . <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor"> </a> <a href="/journal-foreign-16041/" target="_blank" rel="nofollow" class="tuijian_authcolor">ChemCatChem .</a> <span>2017</span> <span>,第9期</span> </span> </div> <p class="zwjiyix translation" style="max-width: initial;height: 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class="tuijian_auth tuijian_authcolor">,吴新华</a> <span> <a href="/journal-cn-15070/" target="_blank" rel="nofollow" class="tuijian_authcolor"> . 无机化学学报 </a> </span> <span> . 2019</span><span> ,第008期</span> </span> </div> </li> <li> <div> <b>2. </b><a class="enjiyixqcontent" href="/academic-journal-cn_chemical-research-application_thesis/0201281423097.html">氮化碳负载AuPd纳米催化剂甲酸分解制氢性能</a> <b>[J]</b> <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=马尚坤&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor"> . 马尚坤</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=刘艳&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">,刘艳</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=王少君&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">,王少君</a> <span> <a href="/journal-cn-12032/" target="_blank" rel="nofollow" class="tuijian_authcolor"> . 化学研究与应用 </a> </span> <span> . 2020</span><span> ,第006期</span> </span> </div> </li> <li> <div> <b>3. </b><a class="enjiyixqcontent" href="/academic-journal-cn_journal-jiangxi-normal-university-natural-science-edition_thesis/0201272961912.html">介孔硅负载超细Pd纳米粒子催化甲酸分解脱氢</a> <b>[J]</b> <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=聂文丹&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor"> . 聂文丹</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=杨齐凤&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">,杨齐凤</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=卢章辉&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">,卢章辉</a> <span> <a href="/journal-cn-4656/" target="_blank" rel="nofollow" class="tuijian_authcolor"> . 江西师范大学学报（自然科学版） </a> </span> <span> . 2019</span><span> ,第004期</span> </span> </div> </li> <li> <div> <b>4. </b><a class="enjiyixqcontent" href="/academic-journal-cn_chinese-journal-catalysis_thesis/0201278434380.html">DFT法研究HCOOH在Pd/WC(0001)上的分解机理</a> <b>[J]</b> <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=张金花&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor"> . 张金花</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=佘远斌&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">,佘远斌</a> <span> <a href="/journal-cn-28399/" target="_blank" rel="nofollow" class="tuijian_authcolor"> . 催化学报 </a> </span> <span> . 2020</span><span> ,第003期</span> </span> </div> </li> <li> <div> <b>5. </b><a class="enjiyixqcontent" href="/academic-journal-cn_journal-light-scattering_thesis/0201233028390.html">银纳米粒子上苯甲酸吸收行为的实验(FT-Raman)和理论(DFT)研究</a> <b>[J]</b> <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=吴惠君&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor"> . 吴惠君</a> <a 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Boron Nitride‐supported Sub‐nanometer Pd 66 Clusters for Formic Acid Decomposition: A DFT Study

摘要

Boron Nitride‐supported Sub‐nanometer Pd ₆6 Clusters for Formic Acid Decomposition: A DFT Study