<?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%">Lambropoulos, K.</style></author><author><style face="normal" font="default" size="100%">Vantaraki, C.</style></author><author><style face="normal" font="default" size="100%">Bilia, P.</style></author><author><style face="normal" font="default" size="100%">Mantela, M.</style></author><author><style face="normal" font="default" size="100%">Simserides, C.</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Periodic polymers with increasing repetition unit: Energy structure and carrier transfer</style></title><secondary-title><style face="normal" font="default" size="100%">Physical Review E</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">2018</style></year></dates><urls><web-urls><url><style face="normal" font="default" size="100%">https://journals.aps.org/pre/abstract/10.1103/PhysRevE.98.032412</style></url></web-urls></urls><number><style face="normal" font="default" size="100%">3</style></number><volume><style face="normal" font="default" size="100%">98</style></volume><pages><style face="normal" font="default" size="100%">032412</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">We study the energy structure and the transfer of an extra electron or hole along periodic polymers made of &lt;span id=&quot;MathJax-Element-1-Frame&quot; style=&quot;font-size: 117%;&quot; class=&quot;mjx-chtml MathJax_CHTML&quot;&gt;&lt;span id=&quot;MJXc-Node-1&quot; class=&quot;mjx-math&quot;&gt;&lt;span id=&quot;MJXc-Node-2&quot; class=&quot;mjx-mrow&quot;&gt;&lt;span id=&quot;MJXc-Node-3&quot; class=&quot;mjx-mi&quot;&gt;&lt;span style=&quot;padding-top: 0.491em; padding-bottom: 0.308em; padding-right: 0.085em;&quot; class=&quot;mjx-char MJXc-TeX-math-I&quot;&gt;N&lt;/span&gt;&lt;/span&gt;&lt;/span&gt;&lt;/span&gt;&lt;/span&gt; monomers, with a repetition unit made of &lt;span id=&quot;MathJax-Element-2-Frame&quot; style=&quot;font-size: 117%;&quot; class=&quot;mjx-chtml MathJax_CHTML&quot;&gt;&lt;span id=&quot;MJXc-Node-4&quot; class=&quot;mjx-math&quot;&gt;&lt;span id=&quot;MJXc-Node-5&quot; class=&quot;mjx-mrow&quot;&gt;&lt;span id=&quot;MJXc-Node-6&quot; class=&quot;mjx-mi&quot;&gt;&lt;span style=&quot;padding-top: 0.491em; padding-bottom: 0.308em; padding-right: 0.109em;&quot; class=&quot;mjx-char MJXc-TeX-math-I&quot;&gt;P&lt;/span&gt;&lt;/span&gt;&lt;/span&gt;&lt;/span&gt;&lt;/span&gt; monomers, using a tight-binding wire model, where a site is a monomer (e.g., in DNA, a base pair), for &lt;span id=&quot;MathJax-Element-3-Frame&quot; style=&quot;font-size: 117%;&quot; class=&quot;mjx-chtml MathJax_CHTML&quot;&gt;&lt;span id=&quot;MJXc-Node-7&quot; class=&quot;mjx-math&quot;&gt;&lt;span id=&quot;MJXc-Node-8&quot; class=&quot;mjx-mrow&quot;&gt;&lt;span id=&quot;MJXc-Node-9&quot; class=&quot;mjx-mi&quot;&gt;&lt;span style=&quot;padding-top: 0.491em; padding-bottom: 0.308em; padding-right: 0.109em;&quot; class=&quot;mjx-char MJXc-TeX-math-I&quot;&gt;P&lt;/span&gt;&lt;/span&gt;&lt;/span&gt;&lt;/span&gt;&lt;/span&gt; even, and deal with two categories of such polymers: made of the same monomer (GC…, GGCC…, etc.) and made of different monomers (GA…, GGAA…, etc.). We calculate the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) eigenspectra, density of states, and HOMO-LUMO gap and find some limiting properties these categories possess, as &lt;span id=&quot;MathJax-Element-4-Frame&quot; style=&quot;font-size: 117%;&quot; class=&quot;mjx-chtml MathJax_CHTML&quot;&gt;&lt;span id=&quot;MJXc-Node-10&quot; class=&quot;mjx-math&quot;&gt;&lt;span id=&quot;MJXc-Node-11&quot; class=&quot;mjx-mrow&quot;&gt;&lt;span id=&quot;MJXc-Node-12&quot; class=&quot;mjx-mi&quot;&gt;&lt;span style=&quot;padding-top: 0.491em; padding-bottom: 0.308em; padding-right: 0.109em;&quot; class=&quot;mjx-char MJXc-TeX-math-I&quot;&gt;P&lt;/span&gt;&lt;/span&gt;&lt;/span&gt;&lt;/span&gt;&lt;/span&gt; increases. We further examine the properties of the mean over time probability to find the carrier at each monomer. We introduce the &lt;em&gt;weighted mean frequency&lt;/em&gt; of each monomer and the &lt;em&gt;total weighted mean frequency&lt;/em&gt; of the whole polymer, as a measure of the overall transfer frequency content. We study the pure mean transfer rates. These rates can be increased by many orders of magnitude with appropriate sequence choice. Generally, homopolymers display the most efficient charge transfer. Finally, we compare the pure mean transfer rates with experimental transfer rates obtained by time-resolved spectroscopy.</style></abstract><notes><style face="normal" font="default" size="100%">cited By 8</style></notes></record></records></xml>