Insights into Crystalline Preorganization of Gas-Phase Precursors: Densification Mechanisms

Olivier, Stéphane; Ducéré, Jean‐Marie; Mastail, Cédric; Landa, Georges; Estève, Alain; Rouhani, M. Djafari

doi:10.1021/cm071740a

Cited by 19 publications

(25 citation statements)

References 15 publications

(15 reference statements)

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“…26. Recently, several studies did show that γ -Al 2 O 3 can also be constructed as a defective hausmannite Mn 3 O 4 structure [26][27][28] where Al atoms replace Mn. Interestingly, the octahedrons and tetrahedrons in hausmannite, oriented along the [1-10] direction, show structures similar to those shown in Fig.…”

Section: Resultsmentioning

confidence: 99%

On the early stage of aluminum oxidation: An extraction mechanism via oxygen cooperation

Lanthony

Ducéré

Rouhani

et al. 2012

The Journal of Chemical Physics

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We propose a barrierless mechanism for describing the oxidation of Al(111) in which oxygen atoms located on the outer surface extract aluminum atoms of the surface layers through local cooperation of other pre-adsorbed oxygen atoms. We show the details of this complex chemical process that kinetically competes with the non-destructive formation of an oxygen monolayer onto the Al surface, thus elucidating the initial aluminum oxidation regime. We demonstrate that further stripping of the complete surface Al layer is consistent with both (i) the formation of a defective alumina structure and (ii) an oxide capping layer preventing further oxidation at low temperature.

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Section: Resultsmentioning

confidence: 99%

On the early stage of aluminum oxidation: An extraction mechanism via oxygen cooperation

Lanthony

Ducéré

Rouhani

et al. 2012

The Journal of Chemical Physics

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“…Since the beginning of the century, atomic scale modeling, mainly through Density Functional Theory (DFT) calculations, has established itself as a remarkable tool to provide quantified ALD chemical reaction paths, from both thermodynamic and kinetic points of view. [97][98][99][100][101][102] From these insights, macro-and mesoscale models have been derived: (i) using Kinetic Monte Carlo techniques to highlight collective behaviors and structuring of a limited number of ALD layers at the atomic scale, [103][104][105] (ii) using mechanistic kinetic models at the continuum scale, [106][107][108] more adapted to direct industrial engineering usage. Finally, the consideration of fluid dynamics equations have allowed to tackle issues related to the scale of the reactor.…”

Section: Modeling: a Key Tool In High Throughputmentioning

confidence: 99%

Speeding up the unique assets of atomic layer deposition

Muñoz‐Rojas

Maindron

Estève

et al. 2019

Materials Today Chemistry

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Atomic Layer Deposition (ALD) has been traditionally regarded as an extremely powerful but slow thin-film deposition technique. The (perceived) limitation in terms of deposition rate has resulted in a slow penetration of the technology into mass manufacturing beyond established applications in the semiconductor industry until recently. At present, several developments have resulted in a significant increase in the use of ALD in a number of mass manufacturing applications. On the one hand, there is an increasing demand from the device makers side to incorporate nanotechnology in their products that relies on the unique advantages of ALD. On the other hand, a number of technical improvements have been implemented in the ALD method allowing it to be much faster. In this paper, we provide an overview of different High Throughput (HT) ALD approaches, putting them in perspective with other common HT deposition techniques already used in the industry. As an example, the use of HT ALD for Organic Light-Emitting Diodes (OLED) thin-film encapsulation is discussed.

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“…This accounts for the transition from molecular groups to the crystalline material and leads to an increase of the metal and oxygen coordination numbers. 33,35,36 Weckman et al 37,38 performed extensive ab initio calculations on ZnO ALD on ZnO from DEZn and H 2 O. They showed that in addition to the standard ligand exchange reactions for DEZn, hydroxyl groups, monoethyl zinc (MEZn), and water molecules, many other processes, including densification, can occur during the precursor and oxidant reactions, eventually leading to crystalline ZnO.…”

Section: A Zno Ald On Ingaas Transient Regimementioning

confidence: 99%

In situ x-ray studies of the incipient ZnO atomic layer deposition on In0.53Ga0.47As

Skopin

Rapenne

Deschanvres

et al. 2020

Phys. Rev. Materials

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We describe in detail how ZnO films grow on In0.53Ga0.47As substrates by Atomic Layer Deposition (ALD), employing a suite of in situ synchrotron X-ray techniques. Combining results from different measurements allows the distinguishment of three different growth behaviors: an initial, slow linear growth, often referred to as a growth delay (regime I), followed by a nonlinear growth (regime II), and finally, a steady, linear growth (regime III), the last of which is the self-limited growth behavior characteristic of ALD. By the end of the regime I, the In0.53Ga0.47As surface is covered with an ultra-thin, poorly-ordered Zn oxide layer. The transition from regime I to II is clearly evidenced by the appearance on the X-ray absorption spectra of characteristic features of the wurtzite structure, as well as the nucleation and growth of ZnO grains (3D) on top of the poorlyordered Zn oxide layer. Regime II ends when the growth per cycle reaches a constant level. We show that the water pressure during growth has an impact on the duration of the growth delay (regime I), unlike the substrate temperature. In the regime of steady growth, we observe that the rate of deposition obtained for all temperatures inside the ALD window is 0.17 nm.cy −1. The deposition temperature has clear effects on the film texture and initial crystallization behavior, as well as the final crystallinity and thicknesses of the layers adjacent to the In0.53Ga0.47As substrate. Based on the experimental results and earlier ab initio calculations and Monte Carlo simulations of ZnO ALD on ZnO, we suggest reaction mechanisms consistent with our findings and present a model of growth starting from the very earliest stages of deposition to the steady growth regime.

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Insights into Crystalline Preorganization of Gas-Phase Precursors: Densification Mechanisms

Cited by 19 publications

References 15 publications

On the early stage of aluminum oxidation: An extraction mechanism via oxygen cooperation

On the early stage of aluminum oxidation: An extraction mechanism via oxygen cooperation

Speeding up the unique assets of atomic layer deposition

In situ x-ray studies of the incipient ZnO atomic layer deposition on In0.53Ga0.47As

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