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Thermodynamic Screening of Reaction ...

Xia, Yantao.

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Thermodynamic Screening of Reaction Chemistries for Atomic Layer Etching of Metals.

Record Type:	Electronic resources : Monograph/item
Title/Author:	Thermodynamic Screening of Reaction Chemistries for Atomic Layer Etching of Metals./
Author:	Xia, Yantao.
Published:	Ann Arbor : ProQuest Dissertations & Theses, : 2020,
Description:	84 p.
Notes:	Source: Masters Abstracts International, Volume: 82-01.
Contained By:	Masters Abstracts International82-01.
Subject:	Chemical engineering. -
Online resource:	https://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=28001737
ISBN:	9798607352530

Thermodynamic Screening of Reaction Chemistries for Atomic Layer Etching of Metals.
Xia, Yantao.

Thermodynamic Screening of Reaction Chemistries for Atomic Layer Etching of Metals. - Ann Arbor : ProQuest Dissertations & Theses, 2020 - 84 p.

Source: Masters Abstracts International, Volume: 82-01.

Thesis (M.S.)--University of California, Los Angeles, 2020.

This item must not be sold to any third party vendors.

A framework to study the thermodynamics of chemistries of the etching step in ALE processes is presented. The effects of two modifiers(O & N), two substrates(Cu & Ni) and two etchants(formic acid and formamidine) on etching energy are studied with two models. The bulk model uses the bulk formation energy to provide a quick estimate of the etching energy, while the layer model incorporates effects of surface stability and adsorbate configurations. The effect of etchants is independent of models used. Etching by formic acid is favored by 0.45 eV on Ni but slightly disfavored by 0.07 eV on Cu. The two models produce the same qualitative results: on the bare metal, all modifier/etchant pair is unfavorable; on activated substrates, etching is unfavorable for Ni but favorable for Cu. The bulk model shows that the effect of modifiers is insignificant on Cu, but on Ni the O activation is favored by 0.20 eV. With the layer model, a difference of ∼ 0.3 eV favoring the N activation is observed for Cu substrate. On Ni substrate this effect depends on coverage. Below ∼ 0.07 A.

ISBN: 9798607352530Subjects--Topical Terms:

560457
Chemical engineering.
Subjects--Index Terms:

Atomic Layer Etching

Thermodynamic Screening of Reaction Chemistries for Atomic Layer Etching of Metals.
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020 $a 9798607352530
035 $a (MiAaPQ)AAI28001737
035 $a AAI28001737
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100 1 $a Xia, Yantao. $3 3558034
245 1 0 $a Thermodynamic Screening of Reaction Chemistries for Atomic Layer Etching of Metals.
260 1 $a Ann Arbor : $b ProQuest Dissertations & Theses, $c 2020
300 $a 84 p.
500 $a Source: Masters Abstracts International, Volume: 82-01.
500 $a Advisor: Sautet, Philippe.
502 $a Thesis (M.S.)--University of California, Los Angeles, 2020.
506 $a This item must not be sold to any third party vendors.
520 $a A framework to study the thermodynamics of chemistries of the etching step in ALE processes is presented. The effects of two modifiers(O & N), two substrates(Cu & Ni) and two etchants(formic acid and formamidine) on etching energy are studied with two models. The bulk model uses the bulk formation energy to provide a quick estimate of the etching energy, while the layer model incorporates effects of surface stability and adsorbate configurations. The effect of etchants is independent of models used. Etching by formic acid is favored by 0.45 eV on Ni but slightly disfavored by 0.07 eV on Cu. The two models produce the same qualitative results: on the bare metal, all modifier/etchant pair is unfavorable; on activated substrates, etching is unfavorable for Ni but favorable for Cu. The bulk model shows that the effect of modifiers is insignificant on Cu, but on Ni the O activation is favored by 0.20 eV. With the layer model, a difference of ∼ 0.3 eV favoring the N activation is observed for Cu substrate. On Ni substrate this effect depends on coverage. Below ∼ 0.07 A.
520 $a -2 , N is the favored modifier. The reverse is true above ∼ 0.07 A−2 . The layer model is applied to metastable structures on Ni/O/FAmd system formed by placing O atoms in sublayer interstitial sites, resulting in a favorable etching energy consistent with the experiments. The validity of the layer model is established, but the structures fed into the model must be carefully selected to match with the actual substrate.
590 $a School code: 0031.
650 4 $a Chemical engineering. $3 560457
650 4 $a Computational chemistry. $3 3350019
650 4 $a Materials science. $3 543314
653 $a Atomic Layer Etching
653 $a DFT
653 $a Metal ALE
653 $a Screening
653 $a Thermodynamics
690 $a 0542
690 $a 0219
690 $a 0794
710 2 $a University of California, Los Angeles. $b Chemical Engineering 0294. $3 2092146
773 0 $t Masters Abstracts International $g 82-01.
790 $a 0031
791 $a M.S.
792 $a 2020
793 $a English
856 4 0 $u https://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=28001737