Matches in SemOpenAlex for { <https://semopenalex.org/work/W3136126566> ?p ?o ?g. }
- W3136126566 abstract "We studied heteroleptic Hf precursors with a linked amido-cyclopentadienyl ligand by density functional theory (DFT) calculation to enable high-temperature atomic layer deposition processes. The thermolysis and hydrolysis of Hf precursors were simulated to expect thermal stability and reactivity with hydroxyl groups. The effects of alkyl groups in the precursors were also investigated. We constructed the hydroxylated HfO2 surface and then simulated the surface reactions of the precursors. The precursors with the linked ligand showed higher activation energies for thermolysis and lower activation energies for hydrolysis as compared with CpHf(NMe2)3. The precursors with the linked ligand also showed low activation energies for the serial ligand exchange reactions on the HfO2 surface, significantly lower than those of CpHf(NMe2)3. Therefore, the DFT calculation suggests that the Hf precursors with the linked ligand are promising due to their thermal stability and reactivity better than CpHf(NMe2)3." @default.
- W3136126566 created "2021-03-29" @default.
- W3136126566 creator A5000250954 @default.
- W3136126566 creator A5001628148 @default.
- W3136126566 creator A5006471556 @default.
- W3136126566 creator A5024610841 @default.
- W3136126566 creator A5029828905 @default.
- W3136126566 creator A5076277381 @default.
- W3136126566 date "2021-03-23" @default.
- W3136126566 modified "2023-10-18" @default.
- W3136126566 title "Surface reaction of the hafnium precursor with a linked amido-cyclopentadienyl ligand: A density functional theory study" @default.
- W3136126566 cites W1235862920 @default.
- W3136126566 cites W1565682507 @default.
- W3136126566 cites W1598572302 @default.
- W3136126566 cites W1625170149 @default.
- W3136126566 cites W1965752441 @default.
- W3136126566 cites W1966750682 @default.
- W3136126566 cites W1975210064 @default.
- W3136126566 cites W1977741730 @default.
- W3136126566 cites W1979495663 @default.
- W3136126566 cites W1979915840 @default.
- W3136126566 cites W1981368803 @default.
- W3136126566 cites W1987119064 @default.
- W3136126566 cites W1991487429 @default.
- W3136126566 cites W2003645630 @default.
- W3136126566 cites W2004939127 @default.
- W3136126566 cites W2005097584 @default.
- W3136126566 cites W2007186354 @default.
- W3136126566 cites W2009185772 @default.
- W3136126566 cites W2011279437 @default.
- W3136126566 cites W2029877081 @default.
- W3136126566 cites W2034905828 @default.
- W3136126566 cites W2034997794 @default.
- W3136126566 cites W2035415368 @default.
- W3136126566 cites W2038491180 @default.
- W3136126566 cites W2041246757 @default.
- W3136126566 cites W2046720404 @default.
- W3136126566 cites W2051595634 @default.
- W3136126566 cites W2051634685 @default.
- W3136126566 cites W2057742828 @default.
- W3136126566 cites W2061882567 @default.
- W3136126566 cites W2065208860 @default.
- W3136126566 cites W2068554424 @default.
- W3136126566 cites W2072599477 @default.
- W3136126566 cites W2074202065 @default.
- W3136126566 cites W2076972388 @default.
- W3136126566 cites W2077313146 @default.
- W3136126566 cites W2077367386 @default.
- W3136126566 cites W2077770884 @default.
- W3136126566 cites W2080159084 @default.
- W3136126566 cites W2084781518 @default.
- W3136126566 cites W2084951526 @default.
- W3136126566 cites W2085144454 @default.
- W3136126566 cites W2090882141 @default.
- W3136126566 cites W2091135029 @default.
- W3136126566 cites W2095115726 @default.
- W3136126566 cites W2113860896 @default.
- W3136126566 cites W2117517212 @default.
- W3136126566 cites W2126963141 @default.
- W3136126566 cites W2158932701 @default.
- W3136126566 cites W2158970400 @default.
- W3136126566 cites W2162048190 @default.
- W3136126566 cites W2317234186 @default.
- W3136126566 cites W2337802658 @default.
- W3136126566 cites W2410011626 @default.
- W3136126566 cites W2410019439 @default.
- W3136126566 cites W2493280312 @default.
- W3136126566 cites W2501269565 @default.
- W3136126566 cites W2542593568 @default.
- W3136126566 cites W2569626729 @default.
- W3136126566 cites W2572386853 @default.
- W3136126566 cites W2577911204 @default.
- W3136126566 cites W2581450533 @default.
- W3136126566 cites W2621797026 @default.
- W3136126566 cites W2736178248 @default.
- W3136126566 cites W2789675512 @default.
- W3136126566 cites W2804924690 @default.
- W3136126566 cites W2809782173 @default.
- W3136126566 cites W2904267136 @default.
- W3136126566 cites W2990050060 @default.
- W3136126566 cites W2996284964 @default.
- W3136126566 cites W3036089213 @default.
- W3136126566 cites W3092554298 @default.
- W3136126566 cites W3140554452 @default.
- W3136126566 cites W4242070184 @default.
- W3136126566 doi "https://doi.org/10.1116/6.0000796" @default.
- W3136126566 hasPublicationYear "2021" @default.
- W3136126566 type Work @default.
- W3136126566 sameAs 3136126566 @default.
- W3136126566 citedByCount "7" @default.
- W3136126566 countsByYear W31361265662021 @default.
- W3136126566 countsByYear W31361265662022 @default.
- W3136126566 countsByYear W31361265662023 @default.
- W3136126566 crossrefType "journal-article" @default.
- W3136126566 hasAuthorship W3136126566A5000250954 @default.
- W3136126566 hasAuthorship W3136126566A5001628148 @default.
- W3136126566 hasAuthorship W3136126566A5006471556 @default.
- W3136126566 hasAuthorship W3136126566A5024610841 @default.
- W3136126566 hasAuthorship W3136126566A5029828905 @default.
- W3136126566 hasAuthorship W3136126566A5076277381 @default.