Computational Modeling of 2D Transition Metal Dichalcogenides by Atomic Layer Deposition

Joy Sigurdson; Matthew Lawson; Lan Li; Elton Graugnard

Computational Modeling of 2D Transition Metal Dichalcogenides by Atomic Layer Deposition

Joy Sigurdson, Matthew Lawson, Lan Li, Elton Graugnard

Micron School of Materials Science and Engineering

Boise State University

Research output: Contribution to conference › Presentation

Abstract

Targeted theme is Advanced Devices, Packaging, and Materials. The goal of this project is to investigate atomic layer deposition (ALD) of two-dimensional (2D) transition metal dichalcogenides (TMDs) using computational modeling. Our objective is to screen precursors specifically MoCl ₂ (III) Me ₂ NC(N ⁱ Pr) ₂ , MoCl ₄ (V) Me ₂ NC(N ⁱ Pr) ₂ , and MoF ₆ and run a series of energetic calculations. This data will show us how stable and reactive our precursors are and help develop new precursors for growing TMDs using ALD. TMDs have great potential for logic, memory, opto-electronic, energy harvesting, energy storage, and thermal management applications and devices.

Original language	American English
State	Published - 12 Jul 2017

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title = "Computational Modeling of 2D Transition Metal Dichalcogenides by Atomic Layer Deposition",

abstract = " Targeted theme is Advanced Devices, Packaging, and Materials. The goal of this project is to investigate atomic layer deposition (ALD) of two-dimensional (2D) transition metal dichalcogenides (TMDs) using computational modeling. Our objective is to screen precursors specifically MoCl 2 (III) Me 2 NC(N i Pr) 2 , MoCl 4 (V) Me 2 NC(N i Pr) 2 , and MoF 6 and run a series of energetic calculations. This data will show us how stable and reactive our precursors are and help develop new precursors for growing TMDs using ALD. TMDs have great potential for logic, memory, opto-electronic, energy harvesting, energy storage, and thermal management applications and devices.",

author = "Joy Sigurdson and Matthew Lawson and Lan Li and Elton Graugnard",

year = "2017",

month = jul,

day = "12",

language = "American English",

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TY - CONF

T1 - Computational Modeling of 2D Transition Metal Dichalcogenides by Atomic Layer Deposition

AU - Sigurdson, Joy

AU - Lawson, Matthew

AU - Li, Lan

AU - Graugnard, Elton

PY - 2017/7/12

Y1 - 2017/7/12

N2 - Targeted theme is Advanced Devices, Packaging, and Materials. The goal of this project is to investigate atomic layer deposition (ALD) of two-dimensional (2D) transition metal dichalcogenides (TMDs) using computational modeling. Our objective is to screen precursors specifically MoCl 2 (III) Me 2 NC(N i Pr) 2 , MoCl 4 (V) Me 2 NC(N i Pr) 2 , and MoF 6 and run a series of energetic calculations. This data will show us how stable and reactive our precursors are and help develop new precursors for growing TMDs using ALD. TMDs have great potential for logic, memory, opto-electronic, energy harvesting, energy storage, and thermal management applications and devices.

AB - Targeted theme is Advanced Devices, Packaging, and Materials. The goal of this project is to investigate atomic layer deposition (ALD) of two-dimensional (2D) transition metal dichalcogenides (TMDs) using computational modeling. Our objective is to screen precursors specifically MoCl 2 (III) Me 2 NC(N i Pr) 2 , MoCl 4 (V) Me 2 NC(N i Pr) 2 , and MoF 6 and run a series of energetic calculations. This data will show us how stable and reactive our precursors are and help develop new precursors for growing TMDs using ALD. TMDs have great potential for logic, memory, opto-electronic, energy harvesting, energy storage, and thermal management applications and devices.

M3 - Presentation

ER -

Computational Modeling of 2D Transition Metal Dichalcogenides by Atomic Layer Deposition

Abstract

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