{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,17]],"date-time":"2026-08-17T14:53:51Z","timestamp":1786978431244,"version":"build-2736575974"},"reference-count":32,"publisher":"Wiley","issue":"7","license":[{"start":{"date-parts":[[2007,5,15]],"date-time":"2007-05-15T00:00:00Z","timestamp":1179187200000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Small"],"published-print":{"date-parts":[[2007,7,2]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>\n                    We propose a new type of structurally simple and energetically stable cyanide\u2013transition\u2010metal nanotube, based on the planar structure of M(CN)\n                    <jats:sub>2<\/jats:sub>\n                    , (M=Ni, Pd, Pt). These nanotubes have a semiconducting character with a large bandgap (2\u20133\u2005eV) that is insensitive to chirality and diameter. The energetic, electronic, and mechanical properties of these materials in both planar and tubular forms are studied through first\u2010principles density functional theory calculations. The calculations reveal interesting multicenter bonding features, which should lead to preferential growth of tubes of a particular chirality. These intrinsically semiconducting nanotubes can be readily p\u2010 or n\u2010doped, which makes them good candidates for nanoscale elements in electronic devices.\n                  <\/jats:p>","DOI":"10.1002\/smll.200700033","type":"journal-article","created":{"date-parts":[[2007,5,15]],"date-time":"2007-05-15T11:25:26Z","timestamp":1179228326000},"page":"1253-1258","source":"Crossref","is-referenced-by-count":5,"title":["Semiconducting Cyanide\u2013Transition\u2010Metal Nanotubes"],"prefix":"10.1002","volume":"3","author":[{"given":"Yina","family":"Mo","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Efthimios","family":"Kaxiras","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2007,6,22]]},"reference":[{"key":"e_1_2_5_1_2","unstructured":"\u00a0"},{"key":"e_1_2_5_2_2","doi-asserted-by":"publisher","DOI":"10.1038\/354056a0"},{"key":"e_1_2_5_3_2","doi-asserted-by":"publisher","DOI":"10.1038\/363603a0"},{"key":"e_1_2_5_4_2","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.81.681"},{"key":"e_1_2_5_5_2","doi-asserted-by":"publisher","DOI":"10.1126\/science.280.5370.1744"},{"key":"e_1_2_5_6_2","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.49.5081"},{"key":"e_1_2_5_7_2","doi-asserted-by":"publisher","DOI":"10.1126\/science.269.5226.966"},{"key":"e_1_2_5_8_2","unstructured":"\u00a0"},{"key":"e_1_2_5_9_2","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.47.558"},{"key":"e_1_2_5_10_2","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.54.11169"},{"key":"e_1_2_5_11_2","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.57.11827"},{"key":"e_1_2_5_12_2","unstructured":"\u00a0"},{"key":"e_1_2_5_13_2","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.77.3865"},{"key":"e_1_2_5_14_2","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.78.1396"},{"key":"e_1_2_5_15_2","unstructured":"The default plane\u2010wave cutoffs for the different elements are adopted. Gaussian smearing is applied to the electronic states near the Fermi level with a width of 0.2\u2005eV. Optimized atomic geometries are achieved when the forces on all unconstrained atoms are smaller in magnitude than 0.01\u2005eV\u2009\u00c5\u22121. A mesh in reciprocal space of 8\u00d78\u00d71k\u2005points is used for sampling in the planar structure\u2005I and commensurate meshes for the tube structures."},{"key":"e_1_2_5_16_2","first-page":"170","volume-title":"The Nature of the Chemical Bond","author":"Pauling L.","year":"1960"},{"key":"e_1_2_5_17_2","doi-asserted-by":"publisher","DOI":"10.1002\/zaac.18970150118"},{"key":"e_1_2_5_18_2","unstructured":"\u00a0"},{"key":"e_1_2_5_19_2","doi-asserted-by":"publisher","DOI":"10.1039\/jr9520000319"},{"key":"e_1_2_5_20_2","doi-asserted-by":"publisher","DOI":"10.1039\/jr9580003412"},{"key":"e_1_2_5_21_2","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.85.146"},{"key":"e_1_2_5_22_2","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.79.1297"},{"key":"e_1_2_5_23_2","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.80.4502"},{"key":"e_1_2_5_24_2","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.59.12678"},{"key":"e_1_2_5_25_2","doi-asserted-by":"publisher","DOI":"10.1038\/381678a0"},{"key":"e_1_2_5_26_2","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.58.14013"},{"key":"e_1_2_5_27_2","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.82.944"},{"key":"e_1_2_5_28_2","doi-asserted-by":"publisher","DOI":"10.1016\/S0038-1098(97)10125-9"},{"key":"e_1_2_5_29_2","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.67.245404"},{"key":"e_1_2_5_30_2","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.84.5552"},{"key":"e_1_2_5_31_2","doi-asserted-by":"publisher","DOI":"10.1126\/science.287.5453.637"},{"key":"e_1_2_5_32_2","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0505640103"}],"container-title":["Small"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.wiley.com\/onlinelibrary\/tdm\/v1\/articles\/10.1002%2Fsmll.200700033","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/smll.200700033","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,10,7]],"date-time":"2023-10-07T11:40:46Z","timestamp":1696678846000},"score":1,"resource":{"primary":{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/smll.200700033"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2007,6,22]]},"references-count":32,"journal-issue":{"issue":"7","published-print":{"date-parts":[[2007,7,2]]}},"alternative-id":["10.1002\/smll.200700033"],"URL":"https:\/\/doi.org\/10.1002\/smll.200700033","archive":["Portico"],"relation":{},"ISSN":["1613-6810","1613-6829"],"issn-type":[{"value":"1613-6810","type":"print"},{"value":"1613-6829","type":"electronic"}],"subject":[],"published":{"date-parts":[[2007,6,22]]}}}