Next Article in Journal
One-Step Synthesis of Au-Ag Nanowires through Microorganism-Mediated, CTAB-Directed Approach
Next Article in Special Issue
Fabrication and Characterization of Novel Electrothermal Self-Healing Microcapsules with Graphene/Polymer Hybrid Shells for Bitumenious Material
Previous Article in Journal
Hybrid Density Functional Study on the Photocatalytic Properties of Two-dimensional g-ZnO Based Heterostructures
Previous Article in Special Issue
Nanoparticle-Mediated Therapeutic Agent Delivery for Treating Metastatic Breast Cancer—Challenges and Opportunities
Article Menu
Issue 6 (June) cover image

Export Article

Open AccessArticle
Nanomaterials 2018, 8(6), 375; https://doi.org/10.3390/nano8060375

Theoretical Study of Aluminum Hydroxide as a Hydrogen-Bonded Layered Material

1
Department of Physics and Astronomy, Seoul National University, Seoul 08826, Korea
2
Department of Physics, Pohang University of Science and Technology, Pohang 37673, Korea
*
Author to whom correspondence should be addressed.
Received: 4 May 2018 / Revised: 23 May 2018 / Accepted: 25 May 2018 / Published: 28 May 2018
(This article belongs to the Special Issue Hybrid Nanomaterials for Future Technologies)
Full-Text   |   PDF [1801 KB, uploaded 28 May 2018]   |  

Abstract

In many layer-structured materials, constituent layers are bound through van der Waals (vdW) interactions. However, hydrogen bonding is another type of weak interaction which can contribute to the formation of multi-layered materials. In this work, we investigate aluminum hydroxide [Al(OH) 3 ] having hydrogen bonding as an interlayer binding mechanism. We study the crystal structures and electronic band structures of bulk, single-layer, and multi-layer Al(OH) 3 using density functional theory calculations. We find that hydrogen bonds across the constituent layers indeed give rise to interlayer binding stronger than vdW interactions, and a reduction of the band gap occurs for an isolated layer as compared to bulk Al(OH) 3 which is attributed to the emergence of surface states. We also consider the alkali-halide intercalation between layers and examine how the intercalated atoms affect the atomic and electronic structures of Al(OH) 3 . View Full-Text
Keywords: aluminum hydroxide; Bayerite; Gibbsite; two-dimensional layered material; hydrogen bonding; density functional theory; first-principles calculation; band structure; band gap; surface states; alkali-halide intercalation aluminum hydroxide; Bayerite; Gibbsite; two-dimensional layered material; hydrogen bonding; density functional theory; first-principles calculation; band structure; band gap; surface states; alkali-halide intercalation
Figures

Figure 1

This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0).
SciFeed

Share & Cite This Article

MDPI and ACS Style

Kim, D.; Jung, J.H.; Ihm, J. Theoretical Study of Aluminum Hydroxide as a Hydrogen-Bonded Layered Material. Nanomaterials 2018, 8, 375.

Show more citation formats Show less citations formats

Note that from the first issue of 2016, MDPI journals use article numbers instead of page numbers. See further details here.

Related Articles

Article Metrics

Article Access Statistics

1

Comments

[Return to top]
Nanomaterials EISSN 2079-4991 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert
Back to Top