<?xml version="1.0" encoding="utf-8"?>
<!DOCTYPE article PUBLIC "-//NLM//DTD JATS (Z39.96) Journal Publishing DTD v1.3 20210610//EN" "https://jats.nlm.nih.gov/publishing/1.3/JATS-journalpublishing1-3.dtd">
<article article-type="research-article" dtd-version="1.3" xml:lang="en">
  <front xmlns:xlink="http://www.w3.org/1999/xlink">
    <journal-meta>
      <journal-title-group>
        <journal-title>St. Petersburg Polytechnic University Journal: Physics and Mathematics</journal-title>
        <trans-title-group xml:lang="ru">
          <trans-title>Научно-технические ведомости СПбГПУ. Физико-математические науки</trans-title>
        </trans-title-group>
      </journal-title-group>
      <issn pub-type="epub">2304-9782, 2618-8686, 2405-7223</issn>
    </journal-meta>
    <article-meta xmlns:xlink="http://www.w3.org/1999/xlink">
      <article-id pub-id-type="publisher-id">8</article-id>
      <article-id pub-id-type="doi">10.18721/JPM.16308</article-id>
      <title-group>
        <article-title>A theoretical study of macromolecule interaction with the quasi-free-standing and epitaxial graphene formed on the silicon carbide polytypes</article-title>
        <trans-title-group xml:lang="ru">
          <trans-title>Теоретическое исследование взаимодействия макромолекулы с квазисвободным и эпитаксиальным графеном, сформированном на политипах карбида кремния</trans-title>
        </trans-title-group>
      </title-group>
      <contrib-group>
        <contrib contrib-type="author">
          <name>
            <surname>Lebedev</surname>
            <given-names>Alexander</given-names>
          </name>
          <xref ref-type="aff" rid="aff1"/>
          <email>shura.lebe@mail.ioffe.ru</email>
        </contrib>
        <contrib contrib-type="author">
          <name>
            <surname>Davydov</surname>
            <given-names>Sergey</given-names>
          </name>
          <xref ref-type="aff" rid="aff2"/>
          <email>Sergei_Davydov@mail.ru</email>
        </contrib>
      </contrib-group>
      <aff id="aff1">Ioffe Institute</aff>
      <aff id="aff2">Ioffe Institute of RAS</aff>
      <pub-date publication-format="electronic" date-type="pub" iso-8601-date="2023-09-30">
        <day>30</day>
        <month>09</month>
        <year>2023</year>
      </pub-date>
      <volume>16</volume>
      <issue>3</issue>
      <fpage>87</fpage>
      <lpage>94</lpage>
      <self-uri xmlns:xlink="http://www.w3.org/1999/xlink" content-type="pdf" xlink:href="https://physmath.spbstu.ru/userfiles/files/articles/2023/3/08-Lebedev.pdf"/>
      <abstract xml:lang="en">
        <p>A two-level model of an organic macromolecule has been put forward in order to analyze theoretically the interaction of dangling molecular orbitals of the organic macromolecule with quasi-free-standing and epitaxial graphene. The model initially contains a completely filled (HOMO) and empty (LOMO) levels. Within the framework of the standard adsorption approach, the interaction of these levels with quasi-free and epitaxial graphene was considered. Silicon carbide polytypes were considered as substrates. Our estimates showed that the maximum transition of electrons from dangling bonds to epitaxial graphene took place for the 3C-SiC substrate.</p>
      </abstract>
      <kwd-group xml:lang="en">
        <kwd>two-level macromolecule model</kwd>
        <kwd>single-layer graphene</kwd>
        <kwd>semiconductor substrate</kwd>
      </kwd-group>
    </article-meta>
  </front>
</article>
