Matches in SemOpenAlex for { <https://semopenalex.org/work/W4311451737> ?p ?o ?g. }
- W4311451737 endingPage "57205" @default.
- W4311451737 startingPage "57197" @default.
- W4311451737 abstract "Phonon-mediated charge relaxation plays a vital role in controlling thermal transport across an interface for efficient functioning of two-dimensional (2D) nanostructured devices. Using a combination of nonadiabatic molecular dynamics with real-time time-dependent density functional theory, we demonstrate a strong influence of adhesion layers at the Au/WSe2 interface on nonequilibrium charge relaxation, rationalizing recent ultrafast time-resolved experiments. Ti oxide layers (TiOx) create a barrier to the interaction between Au and WSe2 and extend hot carrier lifetimes, creating benefits for photovoltaic and photocatalytic applications. In contrast, a metallic Ti layer accelerates the energy flow, as needed for efficient heat dissipation in electronic devices. The interaction of metallic Ti with WSe2 causes W-Se bond scissoring and pins the Fermi level. The Ti adhesion layer enhances the electron-phonon coupling due to an increased density of states and the light mass of the Ti atom. The conclusions are robust to presence of typical point defects. The atomic-scale ab initio analysis of carrier relaxation at the interfaces advances our knowledge in fabricating nanodevices with optimized electronic and thermal properties." @default.
- W4311451737 created "2022-12-26" @default.
- W4311451737 creator A5000432351 @default.
- W4311451737 creator A5006091025 @default.
- W4311451737 creator A5007059317 @default.
- W4311451737 creator A5033946101 @default.
- W4311451737 creator A5061633372 @default.
- W4311451737 creator A5077006311 @default.
- W4311451737 creator A5091404319 @default.
- W4311451737 date "2022-12-14" @default.
- W4311451737 modified "2023-09-24" @default.
- W4311451737 title "Control of Charge Carrier Relaxation at the Au/WSe<sub>2</sub> Interface by Ti and TiO<sub>2</sub> Adhesion Layers: Ab Initio Quantum Dynamics" @default.
- W4311451737 cites W1970022823 @default.
- W4311451737 cites W1979544533 @default.
- W4311451737 cites W1981368803 @default.
- W4311451737 cites W1993491093 @default.
- W4311451737 cites W1998681686 @default.
- W4311451737 cites W1999049345 @default.
- W4311451737 cites W2006756320 @default.
- W4311451737 cites W2028056984 @default.
- W4311451737 cites W2031036190 @default.
- W4311451737 cites W2047043021 @default.
- W4311451737 cites W2052108172 @default.
- W4311451737 cites W2053027007 @default.
- W4311451737 cites W2058398316 @default.
- W4311451737 cites W2059903780 @default.
- W4311451737 cites W2059975717 @default.
- W4311451737 cites W2068798373 @default.
- W4311451737 cites W2068920655 @default.
- W4311451737 cites W2079105963 @default.
- W4311451737 cites W2079689884 @default.
- W4311451737 cites W2079753334 @default.
- W4311451737 cites W2080890692 @default.
- W4311451737 cites W2092157292 @default.
- W4311451737 cites W2098113948 @default.
- W4311451737 cites W2166475097 @default.
- W4311451737 cites W2170830133 @default.
- W4311451737 cites W2176009997 @default.
- W4311451737 cites W2226902984 @default.
- W4311451737 cites W2255945964 @default.
- W4311451737 cites W2270979631 @default.
- W4311451737 cites W2293006339 @default.
- W4311451737 cites W2312435277 @default.
- W4311451737 cites W2318724650 @default.
- W4311451737 cites W2320783575 @default.
- W4311451737 cites W2324141808 @default.
- W4311451737 cites W2325211342 @default.
- W4311451737 cites W2335753622 @default.
- W4311451737 cites W2353643386 @default.
- W4311451737 cites W2413033096 @default.
- W4311451737 cites W2440060170 @default.
- W4311451737 cites W2465604970 @default.
- W4311451737 cites W2550461554 @default.
- W4311451737 cites W2560189773 @default.
- W4311451737 cites W2584656610 @default.
- W4311451737 cites W2675066091 @default.
- W4311451737 cites W2751712730 @default.
- W4311451737 cites W2768309579 @default.
- W4311451737 cites W2768430683 @default.
- W4311451737 cites W2944571495 @default.
- W4311451737 cites W2954424087 @default.
- W4311451737 cites W2963123589 @default.
- W4311451737 cites W2967749380 @default.
- W4311451737 cites W2969601872 @default.
- W4311451737 cites W2975201928 @default.
- W4311451737 cites W2986522154 @default.
- W4311451737 cites W2992138817 @default.
- W4311451737 cites W3004419344 @default.
- W4311451737 cites W3013269995 @default.
- W4311451737 cites W3047013987 @default.
- W4311451737 cites W3092489931 @default.
- W4311451737 cites W3101746025 @default.
- W4311451737 cites W3102252930 @default.
- W4311451737 cites W3109514667 @default.
- W4311451737 cites W3111796719 @default.
- W4311451737 cites W3134099478 @default.
- W4311451737 cites W3136210798 @default.
- W4311451737 cites W3165295359 @default.
- W4311451737 cites W3169251234 @default.
- W4311451737 cites W3185980471 @default.
- W4311451737 cites W3198454280 @default.
- W4311451737 cites W3213216743 @default.
- W4311451737 cites W4200213534 @default.
- W4311451737 cites W4207024012 @default.
- W4311451737 cites W4214572582 @default.
- W4311451737 cites W4289836771 @default.
- W4311451737 cites W4303446335 @default.
- W4311451737 doi "https://doi.org/10.1021/acsami.2c18793" @default.
- W4311451737 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/36516838" @default.
- W4311451737 hasPublicationYear "2022" @default.
- W4311451737 type Work @default.
- W4311451737 citedByCount "1" @default.
- W4311451737 countsByYear W43114517372023 @default.
- W4311451737 crossrefType "journal-article" @default.
- W4311451737 hasAuthorship W4311451737A5000432351 @default.
- W4311451737 hasAuthorship W4311451737A5006091025 @default.
- W4311451737 hasAuthorship W4311451737A5007059317 @default.
- W4311451737 hasAuthorship W4311451737A5033946101 @default.