FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4383314143> ?p ?o ?g. }

• W4383314143 endingPage "25609" @default.
• W4383314143 startingPage "25601" @default.
• W4383314143 abstract "The optical response, lithium doping, and charge transfer in three Sn-based existing M3SnC2 MAX phases with electron localization function (ELF) were investigated using density functional theory (DFT). Optical calculations show a slight optical anisotropy in the spectra of different optical parameters in some energy ranges of the incident photons. The peak height is mostly slightly higher for the polarization ⟨001⟩. The highest peak shifts toward higher energy when the M-element Ti is replaced by Zr and then by Hf. Optical conductivity, refractive index, extinction coefficient, and dielectric functions reveal the metallic nature of Ti3SnC2, Zr3SnC2, and Hf3SnC2. The plasma frequencies of these materials are very similar for two different polarizations and are 12.97, 13.56, and 14.46 eV, respectively. The formation energies of Li-doped Zr3SnC2 and Hf3SnC2 are considerably lower than those of their Li-doped 211 MAX phase counterparts Zr2SnC and Hf2SnC. Consistently, the formation energy of Li-doped Ti3SnC2 is lower than that of the corresponding 2D MXene Ti3C2, which is a promising photothermal material. The Bader charge is higher in magnitude than the Mulliken and Hirschfeld charges. The highest charge transfer occurs in Zr3SnC2 and the lowest charge transfer occurs in Ti3SnC2. ELF reveals that the bonds between carbon and metal ions are strongly localized, whereas in the case of Sn and metal ions, there is less localization which is interpreted as a weak bond." @default.
• W4383314143 created "2023-07-07" @default.
• W4383314143 creator A5004534969 @default.
• W4383314143 creator A5010336935 @default.
• W4383314143 creator A5027224466 @default.
• W4383314143 creator A5044193641 @default.
• W4383314143 creator A5048787398 @default.
• W4383314143 creator A5084735644 @default.
• W4383314143 date "2023-07-06" @default.
• W4383314143 modified "2023-10-01" @default.
• W4383314143 title "Optical Response, Lithium Doping, and Charge Transfer in Sn-Based 312 MAX Phases" @default.
• W4383314143 cites W1643099005 @default.
• W4383314143 cites W1971649721 @default.
• W4383314143 cites W1973825820 @default.
• W4383314143 cites W1975321284 @default.
• W4383314143 cites W1977785466 @default.
• W4383314143 cites W1981368803 @default.
• W4383314143 cites W1989554193 @default.
• W4383314143 cites W2036113194 @default.
• W4383314143 cites W2051633272 @default.
• W4383314143 cites W2078841293 @default.
• W4383314143 cites W2083222334 @default.
• W4383314143 cites W2087585288 @default.
• W4383314143 cites W2093914988 @default.
• W4383314143 cites W2144219402 @default.
• W4383314143 cites W2159752439 @default.
• W4383314143 cites W2169716645 @default.
• W4383314143 cites W2328699841 @default.
• W4383314143 cites W2328726371 @default.
• W4383314143 cites W2461688975 @default.
• W4383314143 cites W2547540465 @default.
• W4383314143 cites W2550023694 @default.
• W4383314143 cites W2562593620 @default.
• W4383314143 cites W2604954410 @default.
• W4383314143 cites W2607156704 @default.
• W4383314143 cites W2690183434 @default.
• W4383314143 cites W2740601014 @default.
• W4383314143 cites W2787833964 @default.
• W4383314143 cites W2794345394 @default.
• W4383314143 cites W2908857908 @default.
• W4383314143 cites W2949795298 @default.
• W4383314143 cites W2963173413 @default.
• W4383314143 cites W2972620688 @default.
• W4383314143 cites W2991401040 @default.
• W4383314143 cites W2994492851 @default.
• W4383314143 cites W3046153301 @default.
• W4383314143 cites W3094582095 @default.
• W4383314143 cites W3111552186 @default.
• W4383314143 cites W3128892581 @default.
• W4383314143 cites W3129708232 @default.
• W4383314143 cites W3201505495 @default.
• W4383314143 cites W3216707246 @default.
• W4383314143 cites W4221070113 @default.
• W4383314143 cites W4292491609 @default.
• W4383314143 cites W4297093114 @default.
• W4383314143 doi "https://doi.org/10.1021/acsomega.3c03645" @default.
• W4383314143 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/37483256" @default.
• W4383314143 hasPublicationYear "2023" @default.
• W4383314143 type Work @default.
• W4383314143 citedByCount "0" @default.
• W4383314143 crossrefType "journal-article" @default.
• W4383314143 hasAuthorship W4383314143A5004534969 @default.
• W4383314143 hasAuthorship W4383314143A5010336935 @default.
• W4383314143 hasAuthorship W4383314143A5027224466 @default.
• W4383314143 hasAuthorship W4383314143A5044193641 @default.
• W4383314143 hasAuthorship W4383314143A5048787398 @default.
• W4383314143 hasAuthorship W4383314143A5084735644 @default.
• W4383314143 hasBestOaLocation W43833141431 @default.
• W4383314143 hasConcept C113196181 @default.
• W4383314143 hasConcept C121332964 @default.
• W4383314143 hasConcept C145148216 @default.
• W4383314143 hasConcept C147597530 @default.
• W4383314143 hasConcept C152365726 @default.
• W4383314143 hasConcept C178790620 @default.
• W4383314143 hasConcept C184779094 @default.
• W4383314143 hasConcept C185592680 @default.
• W4383314143 hasConcept C192562407 @default.
• W4383314143 hasConcept C41999313 @default.
• W4383314143 hasConcept C43617362 @default.
• W4383314143 hasConcept C49040817 @default.
• W4383314143 hasConcept C57863236 @default.
• W4383314143 hasConceptScore W4383314143C113196181 @default.
• W4383314143 hasConceptScore W4383314143C121332964 @default.
• W4383314143 hasConceptScore W4383314143C145148216 @default.
• W4383314143 hasConceptScore W4383314143C147597530 @default.
• W4383314143 hasConceptScore W4383314143C152365726 @default.
• W4383314143 hasConceptScore W4383314143C178790620 @default.
• W4383314143 hasConceptScore W4383314143C184779094 @default.
• W4383314143 hasConceptScore W4383314143C185592680 @default.
• W4383314143 hasConceptScore W4383314143C192562407 @default.
• W4383314143 hasConceptScore W4383314143C41999313 @default.
• W4383314143 hasConceptScore W4383314143C43617362 @default.
• W4383314143 hasConceptScore W4383314143C49040817 @default.
• W4383314143 hasConceptScore W4383314143C57863236 @default.
• W4383314143 hasIssue "28" @default.
• W4383314143 hasLocation W43833141431 @default.
• W4383314143 hasLocation W43833141432 @default.
• W4383314143 hasLocation W43833141433 @default.

• next