FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2893283212> ?p ?o ?g. }

• W2893283212 endingPage "36248" @default.
• W2893283212 startingPage "36240" @default.
• W2893283212 abstract "A fundamental understanding of the thermomechanical properties of electrode materials and Li-ion diffusion kinetics is indispensable for designing high-performance Li-ion batteries (LIBs) with high structural stability and safety. Herein, we performed both molecular dynamics (MD) simulations and density functional theory (DFT) calculations to investigate the thermomechanical properties and Li diffusion kinetics in a two-dimensional (2D) defect-filled graphene-like membrane consisting of 5-, 6-, and 7-membered rings, called psi (ψ)-graphene. Our results reveal that ψ-graphene has a negative linear thermal expansion coefficient, a high specific heat capacity, and high elastic constants that satisfy the Born’s criterion for mechanical stability, which can be elucidated as the evidence of strong anharmonicity in ψ-graphene because of the soft out-of-plane bending modes. These characteristics can help prevent the thermal runaway that can occur during overheating and prevent structural damage because of the severe volume expansion of the LIBs. In addition, the Li diffusion coefficient was estimated to be 10–9 cm2/s at 300 K with a low Li migration activation energy (<0.16 eV), which suggests favorable electrode kinetics with fast Li conduction. Our DFT calculations also show that ψ-graphene can possess a fairly good theoretical capacity (339 mA h g–1) and a lower Li diffusion barrier (<0.21 eV). Our results suggest that the new fundamental insights presented here will help to stimulate further experimental work on ψ-graphene for promising future applications as a superior electrode material for LIBs." @default.
• W2893283212 created "2018-10-05" @default.
• W2893283212 creator A5003377509 @default.
• W2893283212 creator A5042012397 @default.
• W2893283212 creator A5083443128 @default.
• W2893283212 date "2018-09-27" @default.
• W2893283212 modified "2023-10-16" @default.
• W2893283212 title "Atomistic Dynamics Investigation of the Thermomechanical Properties and Li Diffusion Kinetics in ψ-Graphene for LIB Anode Material" @default.
• W2893283212 cites W1602127108 @default.
• W2893283212 cites W1840332600 @default.
• W2893283212 cites W1937538148 @default.
• W2893283212 cites W1963858265 @default.
• W2893283212 cites W1963911096 @default.
• W2893283212 cites W1964809159 @default.
• W2893283212 cites W1971114254 @default.
• W2893283212 cites W1972970620 @default.
• W2893283212 cites W1975046412 @default.
• W2893283212 cites W1978522143 @default.
• W2893283212 cites W1979680610 @default.
• W2893283212 cites W1990800832 @default.
• W2893283212 cites W2004907181 @default.
• W2893283212 cites W2005703342 @default.
• W2893283212 cites W2010971702 @default.
• W2893283212 cites W2011373548 @default.
• W2893283212 cites W2011653918 @default.
• W2893283212 cites W2014935324 @default.
• W2893283212 cites W2019465613 @default.
• W2893283212 cites W2021912917 @default.
• W2893283212 cites W2027563442 @default.
• W2893283212 cites W2028157562 @default.
• W2893283212 cites W2031024887 @default.
• W2893283212 cites W2031670446 @default.
• W2893283212 cites W2032315026 @default.
• W2893283212 cites W2040519739 @default.
• W2893283212 cites W2051576260 @default.
• W2893283212 cites W2055019368 @default.
• W2893283212 cites W2058122340 @default.
• W2893283212 cites W2059917467 @default.
• W2893283212 cites W2061324270 @default.
• W2893283212 cites W2061756619 @default.
• W2893283212 cites W2067707952 @default.
• W2893283212 cites W2074684620 @default.
• W2893283212 cites W2088536409 @default.
• W2893283212 cites W2089252559 @default.
• W2893283212 cites W2092398841 @default.
• W2893283212 cites W2093718760 @default.
• W2893283212 cites W2114801198 @default.
• W2893283212 cites W2118492507 @default.
• W2893283212 cites W2125284466 @default.
• W2893283212 cites W2128345075 @default.
• W2893283212 cites W2131470486 @default.
• W2893283212 cites W2131674566 @default.
• W2893283212 cites W2155155530 @default.
• W2893283212 cites W2160197295 @default.
• W2893283212 cites W2165241140 @default.
• W2893283212 cites W2168342488 @default.
• W2893283212 cites W2316015912 @default.
• W2893283212 cites W2321526952 @default.
• W2893283212 cites W2321779038 @default.
• W2893283212 cites W2323796105 @default.
• W2893283212 cites W2333402545 @default.
• W2893283212 cites W2339449625 @default.
• W2893283212 cites W2409920890 @default.
• W2893283212 cites W2502171529 @default.
• W2893283212 cites W2503023276 @default.
• W2893283212 cites W2559950267 @default.
• W2893283212 cites W2570528748 @default.
• W2893283212 cites W2587870104 @default.
• W2893283212 cites W2620080057 @default.
• W2893283212 cites W2727473553 @default.
• W2893283212 cites W2733938455 @default.
• W2893283212 cites W2886481511 @default.
• W2893283212 cites W3103137184 @default.
• W2893283212 cites W572223709 @default.
• W2893283212 doi "https://doi.org/10.1021/acsami.8b11476" @default.
• W2893283212 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/30259728" @default.
• W2893283212 hasPublicationYear "2018" @default.
• W2893283212 type Work @default.
• W2893283212 sameAs 2893283212 @default.
• W2893283212 citedByCount "33" @default.
• W2893283212 countsByYear W28932832122019 @default.
• W2893283212 countsByYear W28932832122020 @default.
• W2893283212 countsByYear W28932832122021 @default.
• W2893283212 countsByYear W28932832122022 @default.
• W2893283212 countsByYear W28932832122023 @default.
• W2893283212 crossrefType "journal-article" @default.
• W2893283212 hasAuthorship W2893283212A5003377509 @default.
• W2893283212 hasAuthorship W2893283212A5042012397 @default.
• W2893283212 hasAuthorship W2893283212A5083443128 @default.
• W2893283212 hasConcept C121332964 @default.
• W2893283212 hasConcept C127413603 @default.
• W2893283212 hasConcept C147597530 @default.
• W2893283212 hasConcept C147789679 @default.
• W2893283212 hasConcept C148898269 @default.
• W2893283212 hasConcept C152365726 @default.
• W2893283212 hasConcept C159467904 @default.
• W2893283212 hasConcept C159985019 @default.
• W2893283212 hasConcept C171250308 @default.

• next