Date of Publication

4-2020

Document Type

Master's Thesis

Degree Name

Master of Science in Physics

Subject Categories

Physics

College

College of Science

Department/Unit

Physics

Thesis Adviser

Nelson B. Arboleda, Jr.

Defense Panel Chair

Michelle T. Natividad

Defense Panel Member

Allan Padama
Melanie Y. David

Abstract/Summary

Hydrogen boride (HB) sheets is a recently synthesized material. With its novelty, various properties have not been explored yet. In this work, the stability of HB sheet was evaluated against water due to its presence across different applications, environment, and solutions. In addition, HB sheets with vacancy defects were examined and evaluated for water stability. The chemical stability was evaluated using density functional theory calculations. Among the considered vacancy defects, the H and B vacancies have the least formation energy requirement, and thus, are most likely to appear. The study conclusively shows that HB sheet (pristine and defected) is chemically stable against water as supported by the low adsorption energy and lack of chemical bonding. In the case of defected HB sheet, an adsorption energy higher than the pristine HB sheet case was observed and could be attributed to the increase dipole-dipole interaction due to the presence of vacancies. Therefore, this work shows that HB sheet will not passively react with water and is open to future application involving water.

Abstract Format

html

Language

English

Format

Electronic

Physical Description

83 leaves

Keywords

Borides; Water

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Embargo Period

5-27-2022

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