TEM image simulation of mesoporous crystals for structure type identification

Tetsu Ohsuna; Yasuhiro Sakamoto; Osamu Terasaki; Kazuyuki Kuroda

doi:10.1016/j.solidstatesciences.2010.04.028

TEM image simulation of mesoporous crystals for structure type identification

Tetsu Ohsuna, Yasuhiro Sakamoto, Osamu Terasaki, Kazuyuki Kuroda

School of Advanced Science and Engineering

Research output: Contribution to journal › Article › peer-review

12 Citations (Scopus)

Abstract

Software, MesoPoreImage, for transmission electron microscope (TEM) image simulation of mesoporous crystals was developed. MesoPoreImage provides two-dimensional (2D) projected potential distributions along any directions as well as corresponding 2D TEM images calculated from a three-dimensional (3D) density distribution of an ideal mesoporous structure. In order to adjust the contrast of simulated TEM images to that observed, a parameter representing surface roughness on the pore surface is introduced. Simulated TEM images of four typical silica mesoporous crystals, MCM-48, AMS-10, SBA-16 and SBA-6 are shown and compared with observed ones, which shows the usefulness of the software for identification of the mesoporous structure type. A procedure for the identification of structure types of mesoporous crystals by using TEM and the simulation software is fully described.

Original language	English
Pages (from-to)	736-744
Number of pages	9
Journal	Solid State Sciences
Volume	13
Issue number	4
DOIs	https://doi.org/10.1016/j.solidstatesciences.2010.04.028
Publication status	Published - 2011 Apr

Keywords

Mesoporous crystals
Mesoporous materials
TEM image simulation

ASJC Scopus subject areas

Chemistry(all)
Materials Science(all)
Condensed Matter Physics

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title = "TEM image simulation of mesoporous crystals for structure type identification",

abstract = "Software, MesoPoreImage, for transmission electron microscope (TEM) image simulation of mesoporous crystals was developed. MesoPoreImage provides two-dimensional (2D) projected potential distributions along any directions as well as corresponding 2D TEM images calculated from a three-dimensional (3D) density distribution of an ideal mesoporous structure. In order to adjust the contrast of simulated TEM images to that observed, a parameter representing surface roughness on the pore surface is introduced. Simulated TEM images of four typical silica mesoporous crystals, MCM-48, AMS-10, SBA-16 and SBA-6 are shown and compared with observed ones, which shows the usefulness of the software for identification of the mesoporous structure type. A procedure for the identification of structure types of mesoporous crystals by using TEM and the simulation software is fully described.",

keywords = "Mesoporous crystals, Mesoporous materials, TEM image simulation",

author = "Tetsu Ohsuna and Yasuhiro Sakamoto and Osamu Terasaki and Kazuyuki Kuroda",

year = "2011",

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doi = "10.1016/j.solidstatesciences.2010.04.028",

language = "English",

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AU - Ohsuna, Tetsu

AU - Sakamoto, Yasuhiro

AU - Terasaki, Osamu

AU - Kuroda, Kazuyuki

PY - 2011/4

Y1 - 2011/4

N2 - Software, MesoPoreImage, for transmission electron microscope (TEM) image simulation of mesoporous crystals was developed. MesoPoreImage provides two-dimensional (2D) projected potential distributions along any directions as well as corresponding 2D TEM images calculated from a three-dimensional (3D) density distribution of an ideal mesoporous structure. In order to adjust the contrast of simulated TEM images to that observed, a parameter representing surface roughness on the pore surface is introduced. Simulated TEM images of four typical silica mesoporous crystals, MCM-48, AMS-10, SBA-16 and SBA-6 are shown and compared with observed ones, which shows the usefulness of the software for identification of the mesoporous structure type. A procedure for the identification of structure types of mesoporous crystals by using TEM and the simulation software is fully described.

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KW - Mesoporous materials

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