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Combined plane wave and localized orbital electronic structure calculation: Adsorption energy of hydrogen on Pd(111)

机译：组合平面波和局部轨道电子结构计算：Pd氢气吸附能量（111）

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Abstract >To achieve the necessary accuracy when calculating the electronic structures of materials, for example, for surface or bulk models, we propose a combined plane wave (PW) and localized orbital (LO) electronic structure calculation approach. A high level theory calculation based on the LO approach can be used to describe chemical reactions and other electronic processes using a cluster model. Conversely, the electronic structure of a surface or bulk model is best calculated using a PW approach. In this study, we analyzed the potential energy surface of a hydrogen atom adsorption on a Pd(111) surface using our proposed combined PW and LO approach. We clearly demonstrate that the combined PW and LO approach is both effective and necessary to determine local surface phenomena. We expect that the proposed approach will be effective for a broad range of applications in the material science field. </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”> <标题类型=“main”>抽象</标题> >在计算材料的电子结构时达到必要的准确性，例如，表面或散装模型，我们提出了一个组合平面波（PW）和局部轨道（LO）电子结构计算方法。基于LO方法的高级理论计算可用于描述使用簇模型的化学反应和其他电子过程。相反，使用PW方法最佳地计算表面或散装模型的电子结构。在这项研究中，我们使用所提出的PW和LO方法分析了Pd（111）表面上的氢原子吸附的潜在能量表面。我们清楚地表明，组合的PW和LO方法既有效，必要地确定局部表面现象。我们预计该拟议的方法将有效地对材料科学领域的广泛应用。</ 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-21753/'>《International Journal of Quantum Chemistry》</a> <b style="margin: 0 2px;">|</b><span>2018年第2期</span><b style="margin: 0 2px;">|</b><span>共5页</span> </div> </li> <li> <div class="author"> <span class="lefttit">作者</span> <p id="fAuthorthree" class="threelineshidden zhankaihshouqi"> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Ishimoto Takayoshi&option=202" target="_blank" rel="nofollow">Ishimoto Takayoshi;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Kai Hiroyuki&option=202" target="_blank" rel="nofollow">Kai Hiroyuki;</a> </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"> <p>Advanced Materials Laboratory Advanced Automotive Research Collaborative Laboratory Graduate School of EngineeringHiroshima University 1‐4‐1 KagamiyamaHigashi‐Hiroshima 739‐8527 Japan;</p> <p>Advanced Materials Laboratory Advanced Automotive Research Collaborative Laboratory Graduate School of EngineeringHiroshima University 1‐4‐1 KagamiyamaHigashi‐Hiroshima 739‐8527 Japan;</p> </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=cluster model&option=203" rel="nofollow">cluster model;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=combined approach&option=203" rel="nofollow">combined approach;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=localized orbital&option=203" rel="nofollow">localized orbital;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=periodic boundary condition&option=203" rel="nofollow">periodic boundary condition;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=plane wave&option=203" rel="nofollow">plane wave;</a> </p> <div class="translation"> 机译：集群模型;组合方法;局部轨道;周期性边界条件;平面波; </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/0704019755855.html">Combined plane wave and localized orbital electronic structure calculation: Adsorption energy of hydrogen on Pd(111)</a> <b>[J]</b> . <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Ishimoto Takayoshi&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">Ishimoto Takayoshi,</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Kai Hiroyuki&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">Kai Hiroyuki </a> <a href="/journal-foreign-21753/" target="_blank" rel="nofollow" class="tuijian_authcolor">International Journal of Quantum Chemistry .</a> <span>2018</span><span>,第2期</span> </span> </div> <p class="zwjiyix translation" style="max-width: initial;height: auto;word-break: break-all;white-space: initial;text-overflow: initial;overflow: initial;"> <span>机译：组合平面波和局部轨道电子结构计算：Pd氢气吸附能量（111）</span> </p> </li> <li> <div> <b>2. </b><a class="enjiyixqcontent" href="/journal-foreign-detail/0704018832851.html">Adsorption energies and ordered structures of hydrogen on Pd(111) from density-functional periodic calculations</a> <b>[J]</b> . <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Lovvik OM.&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">Lovvik OM.,</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Olsen RA.&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">Olsen RA. </a> <a href="/journal-foreign-29361/" target="_blank" rel="nofollow" class="tuijian_authcolor">Physical Review, B. 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tuijian_authcolor">,刘红霞</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=贾美林&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">,贾美林</a> <span> <a href="/journal-cn-4682/" target="_blank" rel="nofollow" class="tuijian_authcolor"> . 内蒙古师范大学学报（自然科学汉文版） </a> </span> <span> . 2016</span><span>,第006期</span> </span> </div> </li> <li> <div> <b>2. </b><a class="enjiyixqcontent" href="/academic-journal-cn_acta-physico-chimica-sinica_thesis/0201251070372.html">氢和硫原子在Pd、Au和Cu及PdAu、PdCu合金(111)表面吸附的密度泛函研究</a> <b>[J]</b> <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=黄永丽&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor"> . 黄永丽</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=刘志平&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">,刘志平</a> <span> <a href="/journal-cn-15102/" target="_blank" rel="nofollow" class="tuijian_authcolor"> . 物理化学学报 </a> 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href="/academic-journal-cn_journal-fuel-chemistry-technology_thesis/0201247841051.html">CO2在Fe3O4(111)表面的吸附结构及能量研究</a> <b>[J]</b> <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=杨涛&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor"> . 杨涛</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=刘金家&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">,刘金家</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=王艳丹&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">,王艳丹</a> <span> <a href="/journal-cn-9180/" target="_blank" rel="nofollow" class="tuijian_authcolor"> . 燃料化学学报 </a> </span> <span> . 2018</span><span>,第009期</span> </span> </div> </li> <li> <div> <b>5. </b><a class="enjiyixqcontent" href="/academic-journal-cn_hunan-papermaking_thesis/0201290806133.html">NO在Pd(111)表面吸附与解离的密度泛函理论研究</a> <b>[J]</b> <span> <a 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