2022
DOI: 10.1039/d1nr05568b
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Self-limiting nitrogen/hydrogen plasma radical chemistry in plasma-enhanced atomic layer deposition of cobalt

Abstract: Cobalt (Co) is a potential candidate in replacing copper for interconnects and has been applied in the trenches in semiconductor industry over twenty years. A non-oxidizing reactant is required in...

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Cited by 8 publications
(9 citation statements)
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“…It should be noted that in DFT calculations of plasma-assisted processes, the focus is generally on the effect of free radicals on the conversion performance. In our recent work, the adsorption of gaseous radicals on the catalyst surface has also been studied using DFT calculations . In keeping with previous investigations, the influence of the plasma is restricted to that of the radicals in the DFT calculations in this work and the cleavage of chemical bonds by high-energy electrons.…”
Section: Methodsmentioning
confidence: 83%
“…It should be noted that in DFT calculations of plasma-assisted processes, the focus is generally on the effect of free radicals on the conversion performance. In our recent work, the adsorption of gaseous radicals on the catalyst surface has also been studied using DFT calculations . In keeping with previous investigations, the influence of the plasma is restricted to that of the radicals in the DFT calculations in this work and the cleavage of chemical bonds by high-energy electrons.…”
Section: Methodsmentioning
confidence: 83%
“…The PE-ALD of Co thin films using CoCp2 is highly dependent on plasma source, where NH3 plasma or a mixture of N2 and H2 can result in high quality and low impurity Co thin films, but separated N2 and H2 plasma pulses yield low quality and high impurity Co thin films. 8,19,26 The significance of active NxHy (x = 0 or 1, y = 0, 1 or 2) radicals in plasma ALD of Co together with surface NHx (x = 1 or 2) terminations were described in our previous studies in eliminating Cp ligands in the metal precursor pulse [27][28] and in the plasma pulse 29 in addition to removing from the growing film and regenerating the surface NHx terminations at the post-plasma stage to be ready for the next deposition cycle.…”
Section: Introductionmentioning
confidence: 95%
“…[32][33][34][35] Outstanding questions, such as precursor design, precursor reactivity with surfaces and their reactions with different co-reactant, can be explored by DFT calculations. In our previous work, we have investigated the coverage and stability of NHx-terminated Ru and Co surfaces 36 , the reaction mechanism in the first half cycle after introducing metal precursors RuCp2 or CoCp2 [27][28] , and reactions between plasma generated radicals and metal precursors treated NHx-terminated Ru and Co surfaces 29 .…”
Section: Introductionmentioning
confidence: 99%
“…Quantum chemical simulations can be a powerful tool for optimizing molecular structures of reactants, providing insights into the energetics, structure, and reactivity of the molecules at the atomic level. Regarding theoretical elucidation of the surface chemistry and molecular design of the reactants for thin-film deposition processes, there has been considerable efforts on the metal precursors. However, the chemical reaction mechanism of the counter-reactant step, especially including those involving organic reactants, is far less understood. …”
Section: Introductionmentioning
confidence: 99%