• 文献检索
  • 文档翻译
  • 深度研究
  • 学术资讯
  • Suppr Zotero 插件Zotero 插件
  • 邀请有礼
  • 套餐&价格
  • 历史记录
应用&插件
Suppr Zotero 插件Zotero 插件浏览器插件Mac 客户端Windows 客户端微信小程序
定价
高级版会员购买积分包购买API积分包
服务
文献检索文档翻译深度研究API 文档MCP 服务
关于我们
关于 Suppr公司介绍联系我们用户协议隐私条款
关注我们

Suppr 超能文献

核心技术专利：CN118964589B侵权必究
粤ICP备2023148730 号-1Suppr @ 2026

文献检索

告别复杂PubMed语法，用中文像聊天一样搜索，搜遍4000万医学文献。AI智能推荐，让科研检索更轻松。

立即免费搜索

文件翻译

保留排版，准确专业，支持PDF/Word/PPT等文件格式，支持 12+语言互译。

免费翻译文档

深度研究

AI帮你快速写综述，25分钟生成高质量综述，智能提取关键信息，辅助科研写作。

立即免费体验

通过X射线全散射和RMC建模研究非晶碳的局部结构。

Local structure of Amorphous carbon investigated by X-ray total scattering and RMC modeling.

作者信息

Yoshimoto Masatsugu, Ito Kazuki, Omote Kazuhiko

机构信息

X-ray Research Laboratory, Rigaku Corporation, 3-9-12 Matsubara-cho, Akishima, Tokyo, 196-8666, Japan.

出版信息

Sci Rep. 2024 Oct 25;14(1):25298. doi: 10.1038/s41598-024-76796-x.

DOI:10.1038/s41598-024-76796-x
PMID:39455817
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11511976/
Abstract

Amorphous carbon is a promising candidate as an energy storage material. In this paper, we performed an X-ray total scattering measurement, RMC modeling, and persistent homology analysis for amorphous carbon samples fabricated at two different heat treatment temperatures. According to the analysis of the nearest-neighbor carbon atoms and their angular histogram, the sample treated at higher temperature shows higher connectivity between carbon atoms than that treated at lower temperature. Furthermore, topological data analysis (persistent homology, PH) reveals quantitative results that relate ring structure and the connectivity between carbon atoms.

摘要

非晶碳是一种很有前景的储能材料候选物。在本文中，我们对在两种不同热处理温度下制备的非晶碳样品进行了X射线全散射测量、反向蒙特卡罗（RMC）建模和持久同调分析。根据对最近邻碳原子及其角直方图的分析，高温处理的样品比低温处理的样品显示出更高的碳原子间连通性。此外，拓扑数据分析（持久同调，PH）揭示了与环结构和碳原子间连通性相关的定量结果。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/761c/11511976/8b49c3177481/41598_2024_76796_Fig10_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/761c/11511976/98778091271d/41598_2024_76796_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/761c/11511976/afb53d4c6c96/41598_2024_76796_Fig2_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/761c/11511976/287e02fd886a/41598_2024_76796_Fig3_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/761c/11511976/bc160d38a2f1/41598_2024_76796_Fig4_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/761c/11511976/56107edd910b/41598_2024_76796_Fig5_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/761c/11511976/aca0b3273d34/41598_2024_76796_Fig6_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/761c/11511976/ded68ef26486/41598_2024_76796_Fig7_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/761c/11511976/2a91d3c9a347/41598_2024_76796_Fig8_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/761c/11511976/58d291129c32/41598_2024_76796_Fig9_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/761c/11511976/8b49c3177481/41598_2024_76796_Fig10_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/761c/11511976/98778091271d/41598_2024_76796_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/761c/11511976/afb53d4c6c96/41598_2024_76796_Fig2_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/761c/11511976/287e02fd886a/41598_2024_76796_Fig3_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/761c/11511976/bc160d38a2f1/41598_2024_76796_Fig4_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/761c/11511976/56107edd910b/41598_2024_76796_Fig5_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/761c/11511976/aca0b3273d34/41598_2024_76796_Fig6_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/761c/11511976/ded68ef26486/41598_2024_76796_Fig7_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/761c/11511976/2a91d3c9a347/41598_2024_76796_Fig8_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/761c/11511976/58d291129c32/41598_2024_76796_Fig9_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/761c/11511976/8b49c3177481/41598_2024_76796_Fig10_HTML.jpg

相似文献

1
Local structure of Amorphous carbon investigated by X-ray total scattering and RMC modeling.通过X射线全散射和RMC建模研究非晶碳的局部结构。
Sci Rep. 2024 Oct 25;14(1):25298. doi: 10.1038/s41598-024-76796-x.
2
First example of multi-scale reverse Monte Carlo modeling for small-angle scattering experimental data using reverse mapping from coarse-grained particles to atoms.首次使用从粗粒粒子到原子的逆向映射，对小角散射实验数据进行多尺度逆向蒙特卡罗建模的示例。
J Phys Condens Matter. 2010 Oct 13;22(40):404215. doi: 10.1088/0953-8984/22/40/404215. Epub 2010 Sep 22.
3
RMC_POT: a computer code for reverse Monte Carlo modeling the structure of disordered systems containing molecules of arbitrary complexity.RMC_POT：用于逆蒙特卡罗建模的计算机代码，可用于模拟含有任意复杂度分子的无序系统的结构。
J Comput Chem. 2012 Nov 5;33(29):2285-91. doi: 10.1002/jcc.23058. Epub 2012 Jul 10.
4
The First Eighteen Years of Reverse Monte Carlo Modelling, a workshop held in Budapest, Hungary (28-30th September 2006).反向蒙特卡罗建模的头十八年，在匈牙利布达佩斯举办的一次研讨会（2006年9月28日至30日）
J Phys Condens Matter. 2007 Aug 22;19(33):330301. doi: 10.1088/0953-8984/19/33/330301. Epub 2007 Jul 4.
5
Molecular modeling of porous carbons using the hybrid reverse Monte Carlo method.使用混合反向蒙特卡罗方法对多孔碳进行分子建模。
Langmuir. 2006 Nov 21;22(24):9942-8. doi: 10.1021/la053402z.
6
Modeling the atomic structure of an amorphous NiZr(3) alloy by anomalous wide angle x-ray scattering and reverse Monte Carlo simulation.通过反常广角X射线散射和反向蒙特卡罗模拟对非晶态NiZr(3)合金的原子结构进行建模。
J Phys Condens Matter. 2008 Mar 19;20(11):115103. doi: 10.1088/0953-8984/20/11/115103. Epub 2008 Feb 20.
7
Topological validation of morphology modeling by extended reverse Monte Carlo analysis.通过扩展反向蒙特卡洛分析对形态建模进行拓扑验证。
Phys Rev E Stat Nonlin Soft Matter Phys. 2008 May;77(5 Pt 2):056704. doi: 10.1103/PhysRevE.77.056704. Epub 2008 May 15.
8
Planning Implications Related to Sterilization-Sensitive Science Investigations Associated with Mars Sample Return (MSR).与火星样本返回（MSR）相关的对灭菌敏感的科学研究的规划意义。
Astrobiology. 2022 Jun;22(S1):S112-S164. doi: 10.1089/AST.2021.0113. Epub 2022 May 19.
9
Reverse Monte Carlo simulations, Raman scattering, and thermal studies of an amorphous Ge30Se70 alloy produced by mechanical alloying.通过机械合金化制备的非晶态Ge30Se70合金的反向蒙特卡罗模拟、拉曼散射和热学研究。
J Chem Phys. 2004 Jan 1;120(1):329-36. doi: 10.1063/1.1629273.
10
Local- and Intermediate-Range Structures on Ordinary and Exotic Phase-Change Materials by Anomalous X-ray Scattering.通过反常X射线散射研究普通和奇异相变材料的局部和中程结构
Anal Sci. 2020 Jan 10;36(1):5-9. doi: 10.2116/analsci.19SAR02. Epub 2019 Dec 20.

本文引用的文献

1
Topological descriptor of thermal conductivity in amorphous Si.非晶硅中热导率的拓扑描述符。
J Chem Phys. 2022 Jun 28;156(24):244502. doi: 10.1063/5.0093441.
2
Effect of bimodal mesoporous carbon as PtRu catalyst support for direct methanol fuel cells.双峰介孔碳作为直接甲醇燃料电池PtRu催化剂载体的效应
RSC Adv. 2020 Aug 18;10(51):30631-30639. doi: 10.1039/d0ra05676f. eCollection 2020 Aug 17.
3
Structure of alumina glass.氧化铝玻璃的结构。
Sci Rep. 2022 Jan 11;12(1):516. doi: 10.1038/s41598-021-04455-6.
4
Real-space modeling for complex structures based on small-angle X-ray scattering.基于小角X射线散射的复杂结构实空间建模
J Appl Crystallogr. 2021 Aug 18;54(Pt 5):1290-1297. doi: 10.1107/S1600576721006701. eCollection 2021 Oct 1.
5
Adsorption of simple gases into the porous glass MCM-41.简单气体在多孔玻璃MCM - 41中的吸附。
J Chem Phys. 2021 May 14;154(18):184503. doi: 10.1063/5.0053555.
6
The utilization of micro-mesoporous carbon-based filler in the P84 hollow fibre membrane for gas separation.用于气体分离的P84中空纤维膜中微介孔碳基填料的应用。
R Soc Open Sci. 2021 Feb 10;8(2):201150. doi: 10.1098/rsos.201150.
7
Illustrated formalisms for total scattering data: a guide for new practitioners.总散射数据的图示形式：新从业者指南。
J Appl Crystallogr. 2021 Feb 1;54(Pt 1):317-332. doi: 10.1107/S1600576720015630.
8
Medium-range order in amorphous ices revealed by persistent homology.持久同调揭示的非晶态冰中的中程有序。
J Phys Condens Matter. 2019 Nov 13;31(45):455403. doi: 10.1088/1361-648X/ab3820. Epub 2019 Aug 2.
9
Zeolite-templated carbons - three-dimensional microporous graphene frameworks.沸石模板炭 - 三维微孔石墨烯骨架。
Chem Commun (Camb). 2018 May 31;54(45):5648-5673. doi: 10.1039/c8cc01932k.
10
Hierarchical structures of amorphous solids characterized by persistent homology.以持久同调为特征的非晶态固体的层次结构。
Proc Natl Acad Sci U S A. 2016 Jun 28;113(26):7035-40. doi: 10.1073/pnas.1520877113. Epub 2016 Jun 13.