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type="text/css"></style> <div id="ct" class="ct2 wp cl"> <div class="mn"> <div class="bm_haa cl"> <div class="bm_h cl"> <a href="http://www.oecr.com/portal.php?mod=rss&catid=62" class="y xi2 rss" target="_blank" title="RSS">订阅</a><h1 class="xs2">文章</h1> </div></div> <div class="kjkjb"> <div class="bm vw" style="margin-bottom:0;"> <div class="h hm"> <div class="zxtoux"><img src="http://www.oecr.com/uc_server/avatar.php?uid=54876&size=small" /></div> <h1 class="ph">一种全新的方法——材料的静电设计 </h1> <p class="xg1"> 时间：2017-5-17 10:28<a class="zz" href="home.php?mod=space&uid=54876">作者：update</a> 阅读<em id="_viewnum">(935)</em> 评论: <a href="http://www.oecr.com/portal.php?mod=comment&id=5697&idtype=aid" title="查看全部评论"><em id="_commentnum">5</em></a></p> <div class="zxfb" ><a href="http://www.oecr.com/portal.php?mod=rss&catid=62" class="y xi2 rss" target="_blank" title="RSS">订阅</a></div> </div> <!--[diy=diysummarytop]--><div id="diysummarytop" class="area"></div><!--[/diy]--> <div class="s"> <div class="ss"><div><span>导读： </span>研究人员已经制定出一种全新的设计材料的光学和电子特性的方法</div> </div> <!--[diy=diysummarybottom]--><div id="diysummarybottom" class="area"></div><!--[/diy]--> <div class="d"> <!--[diy=diycontenttop]--><div id="diycontenttop" class="area"></div><!--[/diy]--> <table cellpadding="0" cellspacing="0" class="vwtb"><tr><td id="article_content"><div> 计算<a href="http://material.oecr.com" target="_blank" class="relatedlink">材料</a>设计传统上被用来对现有的材料进行改善和进一步的开发。模拟让我们能够深入了解决定材料性能的量子力学效应。格拉茨技术大学固体<a href="http://theory.oecr.com" target="_blank" class="relatedlink">物理</a>研究所的EgbertZojer和他的团队朝着打破传统迈出了决定性的一步：他们使用计算机模拟，提出了一个全新的控制材料的<a href="http://electronic.oecr.com" target="_blank" class="relatedlink">电子</a>特性的概念。发生在极性元素上的潜在扰动影响，即所谓的集体静电效应，被研究小组用来有意地操纵材料性能。这一根本性的新方法也适用于三维材料，这已经被格拉茨大学的团队在《先进材料》杂志上进行了证明，根据谷歌<a href="http://theory.oecr.com" target="_blank" class="relatedlink">学术</a>的评分，《先进材料》是国际上在材料研究领域最重要的杂志。</div><div><br></div><div><p style="text-align: center;"><a href="data/attachment/portal/201705/17/102812j6etvq3wbss8ojqw.jpg" target="_blank"><img src="data/attachment/portal/201705/17/102812j6etvq3wbss8ojqw.jpg"></a></p></div><div><br></div><div> <b><font color="#f00000">材料能量分布的操控</font></b></div><div><br></div><div> “静电设计概念的基本方法是通过偶极基团的周期排列来改变<a href="http://sensor.oecr.com" target="_blank" class="relatedlink">半导体</a>的电子态。通过这种方法，我们能够以受控的方式局域地操纵能级。在这个过程中，我们并没有试图找到绕过那些特别是在界面处不可避免的效应的方法。相反，我们故意将其用于我们自己的目的，”EgbertZojer解释道。</div><div><br></div><div> 这个课题作为Zojer研究组的聚焦点已经有一段时间了。第一步是单分子层——例如在金电极上的静电设计。实验表明，所预测的层内能量转移实际上确实发生了，而通过单分子膜传输的电荷可以被有意地进行调制。此外，如石墨烯等二维材料的电子态可以通过集体静电效应的方法来控制。在发表在《先进材料》上的文章中，博士生VeronikaObersteiner，Egbert Zojer以及团队内的其他同事证明了这一概念扩展到三维材料的完全的潜力。</div><div><br></div><div> “对于三维共价有机网络的例子来说，我们展示了如何通过集体静电效应来操纵三维立体材料内的能量分布，从而使得我们能够实现在空间受限制的电子和空穴的通路。通过这种方式，载流子可以被分离开来，材料的电子特性可以按照需要进行设计，”Zojer说。</div><div><br></div><div> 这个概念对于<a href="http://solar.oecr.com" target="_blank" class="relatedlink">太阳能</a>电池来说特别有趣。在经典的有机太阳能电池中，化学性质不同的组成模块，即所谓的给体与受体，被用来分离光生电子-空穴对。在这里提出的方法中，必要的局部能级的移位是由于极性基团的周期性排列而发生的。电子和空穴所漂移到的半导体区域在化学上是相同的。“通过这种方式，我们可以通过改变偶极子的密度来准连续和有效地微调能级。这是我们在材料的静电设计方面的研究的高潮，”Zojer说。</div><div><br></div><div> 三维系统的静电设计还可以使更复杂的量子结构如量子级联和量子棋盘的实现成为可能。“材料设计师的想象力才是我们的概念的极限，”Zojer和Obersteiner热心地。</div><div><br></div><div> 本文的计算工作是在奥地利最高性能的超级计算机——维也纳科学集群（VSC）上进行的，由维也纳技术大学，格拉茨技术大学，维也纳大学，维也纳农业与科学大学(BOKU)和因斯布鲁克大学联合运作。这项工作属于格拉茨技术大学五大研究重点之一的“先进材料科学”领域。</div><div><br></div><div><p style="text-align: center;"><a href="data/attachment/portal/201705/17/102822nj8y8m5mgjjjk8vp.jpg" target="_blank"><img src="data/attachment/portal/201705/17/102822nj8y8m5mgjjjk8vp.jpg"></a></p><p style="text-align: center;"><br></p><p style="text-align: center;"><span style="line-height: 25.2px;">欢迎关注光电<a href="http://news.oecr.com" target="_blank" class="relatedlink">资讯</a>微信公众号，每天将由光电工程师<a href="http://club.oecr.com" target="_blank" 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