Matches in SemOpenAlex for { <https://semopenalex.org/work/W4313595911> ?p ?o ?g. }
- W4313595911 endingPage "4527" @default.
- W4313595911 startingPage "4519" @default.
- W4313595911 abstract "Very recently, two-dimensional MoSi2N4 has been synthetized (Y.-L. Hong, Z. Liu, L. Wang, T. Zhou, W. Ma, C. Xu, S. Feng, L. Chen, M.-L. Chen and D.-M. Sun, Chemical vapor deposition of layered two-dimensional MoSi2N4 materials, Science, 2020, 369, 670-674.). In this work, we systematically explore the mechanical, electronic, and catalytic properties of the MX2Y4 (M = Cr, Hf, Mo, Ti, W, Zr; X = Si, Ge; Y = N, P, As) monolayers by first-principles calculations. These observed monolayers exhibit an isotropic Young's moduli of 165-514 N m-1 and a Poisson's ratio of 0.26-0.33. The calculated band structures indicate that their bandgaps are in the range of 0.49-2.05 eV at the HSE06 level. In particular, a high electron mobility of about 1.04 × 104 cm2 V-1 s-1 is observed in TiSi2N4 monolayers, which shows potential for high-speed electronic devices. MX2Y4 monolayers also reveal decent performances in the hydrogen evolution reaction. More importantly, the Gibbs free energy change of the TiSi2N4 (ZrSi2N4) monolayer is as small as 0.078 eV (-0.035 eV), even being comparable with that of Pt (-0.09 eV). This investigation suggests that the MoSi2N4 family monolayers have potential advanced applications such as photocatalytic, electrocatalytic, and photovoltaic devices." @default.
- W4313595911 created "2023-01-06" @default.
- W4313595911 creator A5015672146 @default.
- W4313595911 creator A5043516086 @default.
- W4313595911 creator A5060549156 @default.
- W4313595911 creator A5072718750 @default.
- W4313595911 date "2023-01-01" @default.
- W4313595911 modified "2023-10-13" @default.
- W4313595911 title "Two-dimensional MX<sub>2</sub>Y<sub>4</sub> systems: ultrahigh carrier transport and excellent hydrogen evolution reaction performances" @default.
- W4313595911 cites W1180410218 @default.
- W4313595911 cites W1606101578 @default.
- W4313595911 cites W1964117058 @default.
- W4313595911 cites W1972198310 @default.
- W4313595911 cites W1979187276 @default.
- W4313595911 cites W1979486333 @default.
- W4313595911 cites W1979544533 @default.
- W4313595911 cites W1981368803 @default.
- W4313595911 cites W1986679491 @default.
- W4313595911 cites W1988898438 @default.
- W4313595911 cites W2010971702 @default.
- W4313595911 cites W2013268599 @default.
- W4313595911 cites W2014935324 @default.
- W4313595911 cites W2017196167 @default.
- W4313595911 cites W2022714449 @default.
- W4313595911 cites W2023387876 @default.
- W4313595911 cites W2027279289 @default.
- W4313595911 cites W2029281675 @default.
- W4313595911 cites W2041311241 @default.
- W4313595911 cites W2049681700 @default.
- W4313595911 cites W2083222334 @default.
- W4313595911 cites W2104029981 @default.
- W4313595911 cites W2140698097 @default.
- W4313595911 cites W2141992264 @default.
- W4313595911 cites W2224042367 @default.
- W4313595911 cites W2280436394 @default.
- W4313595911 cites W2320774444 @default.
- W4313595911 cites W2334012917 @default.
- W4313595911 cites W2344512408 @default.
- W4313595911 cites W2397744158 @default.
- W4313595911 cites W2403937785 @default.
- W4313595911 cites W2550520223 @default.
- W4313595911 cites W2552113748 @default.
- W4313595911 cites W2609721566 @default.
- W4313595911 cites W2756014083 @default.
- W4313595911 cites W2783830729 @default.
- W4313595911 cites W2792347500 @default.
- W4313595911 cites W2793842271 @default.
- W4313595911 cites W2908440916 @default.
- W4313595911 cites W2911709711 @default.
- W4313595911 cites W2915406884 @default.
- W4313595911 cites W2987001392 @default.
- W4313595911 cites W3009641287 @default.
- W4313595911 cites W3010603924 @default.
- W4313595911 cites W3047035269 @default.
- W4313595911 cites W3047483024 @default.
- W4313595911 cites W3081645752 @default.
- W4313595911 cites W3088607445 @default.
- W4313595911 cites W3089046438 @default.
- W4313595911 cites W3106181217 @default.
- W4313595911 cites W3113519001 @default.
- W4313595911 cites W3116300566 @default.
- W4313595911 cites W3121418614 @default.
- W4313595911 cites W3123726651 @default.
- W4313595911 cites W3133390101 @default.
- W4313595911 cites W3133792218 @default.
- W4313595911 cites W3153359524 @default.
- W4313595911 cites W3154385797 @default.
- W4313595911 cites W3159044732 @default.
- W4313595911 cites W3161036294 @default.
- W4313595911 cites W3164656936 @default.
- W4313595911 cites W3170975419 @default.
- W4313595911 cites W3181065606 @default.
- W4313595911 cites W3189304834 @default.
- W4313595911 cites W3199126210 @default.
- W4313595911 cites W3210648518 @default.
- W4313595911 cites W4206577564 @default.
- W4313595911 cites W4207038381 @default.
- W4313595911 cites W4225566280 @default.
- W4313595911 cites W4280575020 @default.
- W4313595911 cites W4283755963 @default.
- W4313595911 cites W4285811010 @default.
- W4313595911 cites W4292731356 @default.
- W4313595911 cites W4308888447 @default.
- W4313595911 cites W4320735095 @default.
- W4313595911 doi "https://doi.org/10.1039/d2cp04224j" @default.
- W4313595911 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/36661890" @default.
- W4313595911 hasPublicationYear "2023" @default.
- W4313595911 type Work @default.
- W4313595911 citedByCount "7" @default.
- W4313595911 countsByYear W43135959112023 @default.
- W4313595911 crossrefType "journal-article" @default.
- W4313595911 hasAuthorship W4313595911A5015672146 @default.
- W4313595911 hasAuthorship W4313595911A5043516086 @default.
- W4313595911 hasAuthorship W4313595911A5060549156 @default.
- W4313595911 hasAuthorship W4313595911A5072718750 @default.
- W4313595911 hasConcept C147789679 @default.
- W4313595911 hasConcept C171250308 @default.
- W4313595911 hasConcept C181966813 @default.