Matches in SemOpenAlex for { <https://semopenalex.org/work/W2319782016> ?p ?o ?g. }
- W2319782016 endingPage "5177" @default.
- W2319782016 startingPage "5171" @default.
- W2319782016 abstract "We present a systematic theoretical study on the structural, electronic, and magnetic properties of the novel tetragonal transition-metal-based 7,7,8,8-tetracyanoquinodimethane molecule coordination single sheets (referred to as TM@TCNQ, TM = Cr–Co). Our results unveil that, in TM@TCNQ, two valence electrons would transfer from one TM atom to TCNQ molecules, making them more stable. Among these structures, Cr@TCNQ, Mn@TCNQ, and Fe@TCNQ exhibit long-range antiferromagnetic coupling while Co@TCNQ is paramagnetic; this dictates these sheets being ideal candidates for spintronic devices. Such long-range magnetic coupling in the studied systems is related to the modulation via the TCNQ ligands. Besides, to explain the magnetic moment qualitatively, we propose a model on d splitting named “4 + 1 splitting”. The possible underlying physical mechanisms are discussed in detail. In addition, TM@TCNQ may conceal promising performance for hydrogen storage according to our results. These predications strongly revive these new synthesized systems as viable candidates for spintronics and hydrogen storage." @default.
- W2319782016 created "2016-06-24" @default.
- W2319782016 creator A5003799076 @default.
- W2319782016 creator A5026904646 @default.
- W2319782016 creator A5033359059 @default.
- W2319782016 creator A5061130117 @default.
- W2319782016 creator A5086880652 @default.
- W2319782016 date "2013-06-05" @default.
- W2319782016 modified "2023-10-18" @default.
- W2319782016 title "Novel Two-Dimensional Tetragonal Monolayer: Metal–TCNQ Networks" @default.
- W2319782016 cites W1979544533 @default.
- W2319782016 cites W1981368803 @default.
- W2319782016 cites W1987595906 @default.
- W2319782016 cites W1997317395 @default.
- W2319782016 cites W2006627938 @default.
- W2319782016 cites W2015901705 @default.
- W2319782016 cites W2021994802 @default.
- W2319782016 cites W2030460019 @default.
- W2319782016 cites W2031345202 @default.
- W2319782016 cites W2032757586 @default.
- W2319782016 cites W2036113194 @default.
- W2319782016 cites W2047654749 @default.
- W2319782016 cites W2048026566 @default.
- W2319782016 cites W2062109205 @default.
- W2319782016 cites W2077225750 @default.
- W2319782016 cites W2083222334 @default.
- W2319782016 cites W2087810283 @default.
- W2319782016 cites W2089592248 @default.
- W2319782016 cites W2092044679 @default.
- W2319782016 cites W2119751781 @default.
- W2319782016 cites W2120229365 @default.
- W2319782016 cites W2121198466 @default.
- W2319782016 cites W2134233006 @default.
- W2319782016 cites W2141261934 @default.
- W2319782016 cites W2155980168 @default.
- W2319782016 cites W2312584953 @default.
- W2319782016 cites W2314735358 @default.
- W2319782016 cites W2321014971 @default.
- W2319782016 cites W2321814578 @default.
- W2319782016 cites W2328804343 @default.
- W2319782016 cites W2331265518 @default.
- W2319782016 doi "https://doi.org/10.1021/jp402637f" @default.
- W2319782016 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/23683318" @default.
- W2319782016 hasPublicationYear "2013" @default.
- W2319782016 type Work @default.
- W2319782016 sameAs 2319782016 @default.
- W2319782016 citedByCount "31" @default.
- W2319782016 countsByYear W23197820162014 @default.
- W2319782016 countsByYear W23197820162015 @default.
- W2319782016 countsByYear W23197820162016 @default.
- W2319782016 countsByYear W23197820162017 @default.
- W2319782016 countsByYear W23197820162018 @default.
- W2319782016 countsByYear W23197820162019 @default.
- W2319782016 countsByYear W23197820162020 @default.
- W2319782016 countsByYear W23197820162021 @default.
- W2319782016 countsByYear W23197820162022 @default.
- W2319782016 countsByYear W23197820162023 @default.
- W2319782016 crossrefType "journal-article" @default.
- W2319782016 hasAuthorship W2319782016A5003799076 @default.
- W2319782016 hasAuthorship W2319782016A5026904646 @default.
- W2319782016 hasAuthorship W2319782016A5033359059 @default.
- W2319782016 hasAuthorship W2319782016A5061130117 @default.
- W2319782016 hasAuthorship W2319782016A5086880652 @default.
- W2319782016 hasConcept C115624301 @default.
- W2319782016 hasConcept C121332964 @default.
- W2319782016 hasConcept C124712363 @default.
- W2319782016 hasConcept C149635348 @default.
- W2319782016 hasConcept C155355069 @default.
- W2319782016 hasConcept C159467904 @default.
- W2319782016 hasConcept C168900304 @default.
- W2319782016 hasConcept C170751736 @default.
- W2319782016 hasConcept C178790620 @default.
- W2319782016 hasConcept C185592680 @default.
- W2319782016 hasConcept C197162081 @default.
- W2319782016 hasConcept C207999682 @default.
- W2319782016 hasConcept C26873012 @default.
- W2319782016 hasConcept C2780713452 @default.
- W2319782016 hasConcept C32909587 @default.
- W2319782016 hasConcept C41008148 @default.
- W2319782016 hasConcept C54553102 @default.
- W2319782016 hasConcept C55493867 @default.
- W2319782016 hasConcept C58312451 @default.
- W2319782016 hasConcept C7070889 @default.
- W2319782016 hasConcept C8010536 @default.
- W2319782016 hasConcept C82217956 @default.
- W2319782016 hasConceptScore W2319782016C115624301 @default.
- W2319782016 hasConceptScore W2319782016C121332964 @default.
- W2319782016 hasConceptScore W2319782016C124712363 @default.
- W2319782016 hasConceptScore W2319782016C149635348 @default.
- W2319782016 hasConceptScore W2319782016C155355069 @default.
- W2319782016 hasConceptScore W2319782016C159467904 @default.
- W2319782016 hasConceptScore W2319782016C168900304 @default.
- W2319782016 hasConceptScore W2319782016C170751736 @default.
- W2319782016 hasConceptScore W2319782016C178790620 @default.
- W2319782016 hasConceptScore W2319782016C185592680 @default.
- W2319782016 hasConceptScore W2319782016C197162081 @default.
- W2319782016 hasConceptScore W2319782016C207999682 @default.
- W2319782016 hasConceptScore W2319782016C26873012 @default.