{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,25]],"date-time":"2026-07-25T14:03:00Z","timestamp":1784988180946,"version":"3.55.0"},"reference-count":45,"publisher":"IOP Publishing","issue":"3","license":[{"start":{"date-parts":[[2017,7,21]],"date-time":"2017-07-21T00:00:00Z","timestamp":1500595200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/publishingsupport.iopscience.iop.org\/iop-standard\/v1"},{"start":{"date-parts":[[2017,7,21]],"date-time":"2017-07-21T00:00:00Z","timestamp":1500595200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/iopscience.iop.org\/info\/page\/text-and-data-mining"}],"funder":[{"DOI":"10.13039\/501100004410","name":"TUBITAK","doi-asserted-by":"crossref","award":["114F397"],"award-info":[{"award-number":["114F397"]}],"id":[{"id":"10.13039\/501100004410","id-type":"DOI","asserted-by":"crossref"}]}],"content-domain":{"domain":["iopscience.iop.org"],"crossmark-restriction":false},"short-container-title":["2D Mater."],"published-print":{"date-parts":[[2017,9,1]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>\n                    By performing density functional theory-based calculations, we investigate how structural, electronic and mechanical properties of single layer ReS\n                    <jats:sub>2<\/jats:sub>\n                    can be tuned upon hydrogenation of its surfaces. It is found that a stable, fully hydrogenated structure can be obtained by formation of strong S-H bonds. The optimized atomic structure of ReS\n                    <jats:sub>2<\/jats:sub>\n                    H\n                    <jats:sub>2<\/jats:sub>\n                    is considerably different than that of the monolayer ReS\n                    <jats:sub>2<\/jats:sub>\n                    which has a distorted-1T phase. By performing phonon dispersion calculations, we also predict that the Re\n                    <jats:sub>2<\/jats:sub>\n                    -dimerized 1T structure (called\n                    <jats:bold>1T<\/jats:bold>\n                    <jats:inline-formula>\n                      <jats:tex-math>\n                        \n                      <\/jats:tex-math>\n                      <mml:math xmlns:mml=\"http:\/\/www.w3.org\/1998\/Math\/MathML\" overflow=\"scroll\">\n                        <mml:mstyle displaystyle=\"false\">\n                          <mml:mstyle displaystyle=\"false\">\n                            <mml:msup>\n                              <mml:mrow>\n                                <mml:mspace width=\"0pt\"\/>\n                              <\/mml:mrow>\n                              <mml:mrow>\n                                <mml:mstyle displaystyle=\"false\">\n                                  <mml:msub>\n                                    <mml:mrow>\n                                      <mml:mi mathvariant=\"normal\">R<\/mml:mi>\n                                      <mml:mi mathvariant=\"normal\">e<\/mml:mi>\n                                    <\/mml:mrow>\n                                    <mml:mn>2<\/mml:mn>\n                                  <\/mml:msub>\n                                <\/mml:mstyle>\n                              <\/mml:mrow>\n                            <\/mml:msup>\n                          <\/mml:mstyle>\n                        <\/mml:mstyle>\n                      <\/mml:math>\n                    <\/jats:inline-formula>\n                    ) of the ReS\n                    <jats:sub>2<\/jats:sub>\n                    H\n                    <jats:sub>2<\/jats:sub>\n                    is dynamically stable. Unlike the bare ReS\n                    <jats:sub>2<\/jats:sub>\n                    the\n                    <jats:bold>1T<\/jats:bold>\n                    <jats:inline-formula>\n                      <jats:tex-math>\n                        \n                      <\/jats:tex-math>\n                      <mml:math xmlns:mml=\"http:\/\/www.w3.org\/1998\/Math\/MathML\" overflow=\"scroll\">\n                        <mml:mstyle displaystyle=\"false\">\n                          <mml:mstyle displaystyle=\"false\">\n                            <mml:msup>\n                              <mml:mrow>\n                                <mml:mspace width=\"0pt\"\/>\n                              <\/mml:mrow>\n                              <mml:mrow>\n                                <mml:mstyle displaystyle=\"false\">\n                                  <mml:msub>\n                                    <mml:mrow>\n                                      <mml:mi mathvariant=\"normal\">R<\/mml:mi>\n                                      <mml:mi mathvariant=\"normal\">e<\/mml:mi>\n                                    <\/mml:mrow>\n                                    <mml:mn>2<\/mml:mn>\n                                  <\/mml:msub>\n                                <\/mml:mstyle>\n                              <\/mml:mrow>\n                            <\/mml:msup>\n                          <\/mml:mstyle>\n                        <\/mml:mstyle>\n                      <\/mml:math>\n                    <\/jats:inline-formula>\n                    \u2013ReS\n                    <jats:sub>2<\/jats:sub>\n                    H\n                    <jats:sub>2<\/jats:sub>\n                    structure which is formed by breaking the Re\n                    <jats:sub>4<\/jats:sub>\n                    clusters into separated Re\n                    <jats:sub>2<\/jats:sub>\n                    dimers, is an indirect-gap semiconductor. Furthermore, mechanical properties of the\n                    <jats:bold>1T<\/jats:bold>\n                    <jats:inline-formula>\n                      <jats:tex-math>\n                        \n                      <\/jats:tex-math>\n                      <mml:math xmlns:mml=\"http:\/\/www.w3.org\/1998\/Math\/MathML\" overflow=\"scroll\">\n                        <mml:mstyle displaystyle=\"false\">\n                          <mml:mstyle displaystyle=\"false\">\n                            <mml:msup>\n                              <mml:mrow>\n                                <mml:mspace width=\"0pt\"\/>\n                              <\/mml:mrow>\n                              <mml:mrow>\n                                <mml:mstyle displaystyle=\"false\">\n                                  <mml:msub>\n                                    <mml:mrow>\n                                      <mml:mi mathvariant=\"normal\">R<\/mml:mi>\n                                      <mml:mi mathvariant=\"normal\">e<\/mml:mi>\n                                    <\/mml:mrow>\n                                    <mml:mn>2<\/mml:mn>\n                                  <\/mml:msub>\n                                <\/mml:mstyle>\n                              <\/mml:mrow>\n                            <\/mml:msup>\n                          <\/mml:mstyle>\n                        <\/mml:mstyle>\n                      <\/mml:math>\n                    <\/jats:inline-formula>\n                    phase in terms of elastic constants, in-plane stiffness (\n                    <jats:italic>C<\/jats:italic>\n                    ) and Poisson ratio (\n                    <jats:italic>\u03bd<\/jats:italic>\n                    ) are investigated. It is found that full hydrogenation not only enhances the flexibility of the single layer ReS\n                    <jats:sub>2<\/jats:sub>\n                    crystal but also increases anisotropy of the elastic constants.\n                  <\/jats:p>","DOI":"10.1088\/2053-1583\/aa78c8","type":"journal-article","created":{"date-parts":[[2017,7,20]],"date-time":"2017-07-20T11:04:16Z","timestamp":1500548656000},"page":"035013","update-policy":"https:\/\/doi.org\/10.1088\/crossmark-policy","source":"Crossref","is-referenced-by-count":28,"title":["Hydrogen-induced structural transition in single layer ReS\n                    <sub>2<\/sub>"],"prefix":"10.1088","volume":"4","author":[{"given":"M","family":"Yagmurcukardes","sequence":"first","affiliation":[{"name":"Izmir Institute of Technology"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"C","family":"Bacaksiz","sequence":"additional","affiliation":[{"name":"Izmir Institute of Technology"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"R T","family":"Senger","sequence":"additional","affiliation":[{"name":"Izmir Institute of Technology"},{"name":"Izmir Institute of Technology"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"H","family":"Sahin","sequence":"additional","affiliation":[{"name":"Izmir Institute of Technology"},{"name":"Izmir Institute of Technology"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"266","published-online":{"date-parts":[[2017,7,21]]},"reference":[{"key":"tdmaa78c8bib001","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.65.125407","type":"journal-article","volume":"65","author":"Gordon","year":"2002","journal-title":"Phys. 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All rights, including for text and data mining, AI training, and similar technologies, are reserved.","name":"copyright_information","label":"Copyright Information"},{"value":"2017-03-27","name":"date_received","label":"Date Received","group":{"name":"publication_dates","label":"Publication dates"}},{"value":"2017-06-12","name":"date_accepted","label":"Date Accepted","group":{"name":"publication_dates","label":"Publication dates"}},{"value":"2017-07-21","name":"date_epub","label":"Online publication date","group":{"name":"publication_dates","label":"Publication dates"}}]}}