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<article article-type="research-article" dtd-version="1.3" xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xml:lang="en"><front><journal-meta><journal-id journal-id-type="publisher-id">najo</journal-id><journal-title-group><journal-title xml:lang="en">Nanosystems: Physics, Chemistry, Mathematics</journal-title><trans-title-group xml:lang="ru"><trans-title>Наносистемы: физика, химия, математика</trans-title></trans-title-group></journal-title-group><issn pub-type="ppub">2220-8054</issn><issn pub-type="epub">2305-7971</issn><publisher><publisher-name>Университет ИТМО</publisher-name></publisher></journal-meta><article-meta><article-id custom-type="elpub" pub-id-type="custom">najo-656</article-id><article-categories><subj-group subj-group-type="heading"><subject>Research Article</subject></subj-group><subj-group subj-group-type="section-heading" xml:lang="en"><subject>CHEMISTRY AND MATERIALS SCIENCE</subject></subj-group><subj-group subj-group-type="section-heading" xml:lang="ru"><subject>ХИМИЯ И НАУКА О МАТЕРИАЛАХ</subject></subj-group></article-categories><title-group><article-title>Redistribution of Mg and Ni cations in crystal lattice of conical nanotube with chrysotile structure</article-title><trans-title-group xml:lang="ru"><trans-title></trans-title></trans-title-group></title-group><contrib-group><contrib contrib-type="author" corresp="yes"><name-alternatives><name name-style="western" xml:lang="en"><surname>Krasilin</surname><given-names>A. A.</given-names></name></name-alternatives><bio xml:lang="en"><p>Politekhnicheskaya st., 26, St. Petersburg, 194021</p></bio><email xlink:type="simple">ikrasilin@mail.ioffe.ru</email><xref ref-type="aff" rid="aff-1"/></contrib></contrib-group><aff xml:lang="en" id="aff-1"><institution>Ioffe Institute</institution><country>Russian Federation</country></aff><pub-date pub-type="collection"><year>2017</year></pub-date><pub-date pub-type="epub"><day>12</day><month>08</month><year>2025</year></pub-date><volume>8</volume><issue>5</issue><fpage>620</fpage><lpage>627</lpage><permissions><copyright-statement>Copyright &amp;#x00A9; Krasilin A.A., 2025</copyright-statement><copyright-year>2025</copyright-year><copyright-holder xml:lang="ru">Krasilin A.A.</copyright-holder><copyright-holder xml:lang="en">Krasilin A.A.</copyright-holder><license xml:lang="ru" license-type="creative-commons-attribution" xlink:href="https://creativecommons.org/licenses/by/4.0/" xlink:type="simple"><license-p>Данная работа распространяется под лицензией Creative Commons Attribution 4.0.</license-p></license><license xml:lang="en" license-type="creative-commons-attribution" xlink:href="https://creativecommons.org/licenses/by/4.0/" xlink:type="simple"><license-p>This work is licensed under a Creative Commons Attribution 4.0 License.</license-p></license></permissions><self-uri xlink:href="https://nanojournal.ifmo.ru/jour/article/view/656">https://nanojournal.ifmo.ru/jour/article/view/656</self-uri><abstract><p>Recently, nanotubular hydrosilicates have attracted attention due to numerous possible applications and intriguing formation mechanism. In this study we estimate energy effect of cylindrical and conical (Mg0:5,Ni0:5)3Si2O5(OH)4 nanotube formation depending on their size parameters, cone angle, and Mg–Ni redistribution function. The calculations show that, as we expected, conical morphology is less preferable from an energy perspective than the cylindrical one, and the energy difference between them increases with the cone angle. Nevertheless, Mg and Ni cations redistribution along side length decreases strain energy of conical nanotube. This effect reaches its maximum of 􀀀75 kJ/mol at a cone angle of 5.</p></abstract></article-meta></front><back><ref-list><title>References</title></ref-list><fn-group><fn fn-type="conflict"><p>The authors declare that there are no conflicts of interest present.</p></fn></fn-group></back></article>
