FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2568841569> ?p ?o ?g. }

• W2568841569 endingPage "181" @default.
• W2568841569 startingPage "174" @default.
• W2568841569 abstract "Through density functional theory calculations, the impact of edge functionalization with O, OH, and alternate termination of them (OHO) on the structural stabilities, electronic and magnetic properties of blue phosphorene nanoribbons (BPNR) are mainly investigated. The formation energies demonstrate that the O-termination on the BPNRs is the most stable, and OHO-termination is more stable than OH-termination, besides the ab initio dynamic simulation show that they are all thermal dynamically stable at room temperature. Both the ground structures of O- and OH-BPNRs are spin-polarized semiconductors, while OH-functionalized BPNRs are nonmagnetic semiconductors. As the ribbon width increasing, the band gaps of O-aBPNRs tend to 1.04 eV, but that of OH-aBPNRs tend to 1.97 eV, comparable with the band gap of single-layer blue phosphorene, since it is dominated by pz electrons of the inner P atoms. In contrast, the influence of OHO-termination on GNRs, SiNRs, and black PNRs are also studied. Our results demonstrate that OHO-terminated GNRs and SiNRs are not a simple summation of O- and OH-terminated GNRs and SiNRs, and they are nonmagnetic stable both with zigzag and armchair edges, presenting metallic properties. While the OHO-terminated black PNRs present similar electronic and magnetic properties with OHO-terminated blue PNRs, and both the OHO-terminated zigzag and armchair edges are spin-polarized stable. These results provide potential help in the fields of band gap engineering and the designing of phosphorus-based spin devices with control over spin in spintronics." @default.
• W2568841569 created "2017-01-13" @default.
• W2568841569 creator A5018239461 @default.
• W2568841569 creator A5040900307 @default.
• W2568841569 creator A5061231533 @default.
• W2568841569 creator A5081675173 @default.
• W2568841569 date "2017-04-01" @default.
• W2568841569 modified "2023-09-29" @default.
• W2568841569 title "Edge-functionalization of blue phosphorene nanoribbons: Studied from first-principle methods" @default.
• W2568841569 cites W1066300139 @default.
• W2568841569 cites W1561572973 @default.
• W2568841569 cites W1671934191 @default.
• W2568841569 cites W1779039046 @default.
• W2568841569 cites W1965148167 @default.
• W2568841569 cites W1968426044 @default.
• W2568841569 cites W1970127494 @default.
• W2568841569 cites W1974965019 @default.
• W2568841569 cites W1979544533 @default.
• W2568841569 cites W1979581346 @default.
• W2568841569 cites W1981368803 @default.
• W2568841569 cites W1996287156 @default.
• W2568841569 cites W2007395042 @default.
• W2568841569 cites W2008180442 @default.
• W2568841569 cites W2014935324 @default.
• W2568841569 cites W2015253161 @default.
• W2568841569 cites W2022483859 @default.
• W2568841569 cites W2026689093 @default.
• W2568841569 cites W2027169271 @default.
• W2568841569 cites W2027613180 @default.
• W2568841569 cites W2029281675 @default.
• W2568841569 cites W2038022630 @default.
• W2568841569 cites W2041726410 @default.
• W2568841569 cites W2048199597 @default.
• W2568841569 cites W2055193423 @default.
• W2568841569 cites W2068824512 @default.
• W2568841569 cites W2071526047 @default.
• W2568841569 cites W2082629008 @default.
• W2568841569 cites W2105685140 @default.
• W2568841569 cites W2125284466 @default.
• W2568841569 cites W2156592662 @default.
• W2568841569 cites W2161968736 @default.
• W2568841569 cites W2197826810 @default.
• W2568841569 cites W2316922700 @default.
• W2568841569 cites W2317763239 @default.
• W2568841569 cites W2331227698 @default.
• W2568841569 cites W3103091354 @default.
• W2568841569 cites W3104479097 @default.
• W2568841569 cites W3104959502 @default.
• W2568841569 doi "https://doi.org/10.1016/j.physe.2016.12.014" @default.
• W2568841569 hasPublicationYear "2017" @default.
• W2568841569 type Work @default.
• W2568841569 sameAs 2568841569 @default.
• W2568841569 citedByCount "6" @default.
• W2568841569 countsByYear W25688415692019 @default.
• W2568841569 countsByYear W25688415692020 @default.
• W2568841569 countsByYear W25688415692021 @default.
• W2568841569 countsByYear W25688415692022 @default.
• W2568841569 crossrefType "journal-article" @default.
• W2568841569 hasAuthorship W2568841569A5018239461 @default.
• W2568841569 hasAuthorship W2568841569A5040900307 @default.
• W2568841569 hasAuthorship W2568841569A5061231533 @default.
• W2568841569 hasAuthorship W2568841569A5081675173 @default.
• W2568841569 hasConcept C108225325 @default.
• W2568841569 hasConcept C115537861 @default.
• W2568841569 hasConcept C121332964 @default.
• W2568841569 hasConcept C147597530 @default.
• W2568841569 hasConcept C147789679 @default.
• W2568841569 hasConcept C152365726 @default.
• W2568841569 hasConcept C159467904 @default.
• W2568841569 hasConcept C178790620 @default.
• W2568841569 hasConcept C181966813 @default.
• W2568841569 hasConcept C185592680 @default.
• W2568841569 hasConcept C192271897 @default.
• W2568841569 hasConcept C192562407 @default.
• W2568841569 hasConcept C207999682 @default.
• W2568841569 hasConcept C2524010 @default.
• W2568841569 hasConcept C26873012 @default.
• W2568841569 hasConcept C2777208637 @default.
• W2568841569 hasConcept C2781442258 @default.
• W2568841569 hasConcept C33923547 @default.
• W2568841569 hasConcept C42704618 @default.
• W2568841569 hasConcept C49040817 @default.
• W2568841569 hasConcept C82217956 @default.
• W2568841569 hasConcept C86025842 @default.
• W2568841569 hasConcept C97355855 @default.
• W2568841569 hasConceptScore W2568841569C108225325 @default.
• W2568841569 hasConceptScore W2568841569C115537861 @default.
• W2568841569 hasConceptScore W2568841569C121332964 @default.
• W2568841569 hasConceptScore W2568841569C147597530 @default.
• W2568841569 hasConceptScore W2568841569C147789679 @default.
• W2568841569 hasConceptScore W2568841569C152365726 @default.
• W2568841569 hasConceptScore W2568841569C159467904 @default.
• W2568841569 hasConceptScore W2568841569C178790620 @default.
• W2568841569 hasConceptScore W2568841569C181966813 @default.
• W2568841569 hasConceptScore W2568841569C185592680 @default.
• W2568841569 hasConceptScore W2568841569C192271897 @default.
• W2568841569 hasConceptScore W2568841569C192562407 @default.
• W2568841569 hasConceptScore W2568841569C207999682 @default.

• next