High-pressure dysprosium carbides containing carbon dimers, trimers, chains, and ribbons

IF 10.5 2区 材料科学 Q1 CHEMISTRY, PHYSICAL Carbon Pub Date : 2024-06-19 DOI:10.1016/j.carbon.2024.119374
Fariia Iasmin Akbar , Alena Aslandukova , Yuqing Yin , Andrey Aslandukov , Dominique Laniel , Elena Bykova , Maxim Bykov , Eleanor Lawrence Bright , Jonathan Wright , Davide Comboni , Michael Hanfland , Natalia Dubrovinskaia , Leonid Dubrovinsky
{"title":"High-pressure dysprosium carbides containing carbon dimers, trimers, chains, and ribbons","authors":"Fariia Iasmin Akbar ,&nbsp;Alena Aslandukova ,&nbsp;Yuqing Yin ,&nbsp;Andrey Aslandukov ,&nbsp;Dominique Laniel ,&nbsp;Elena Bykova ,&nbsp;Maxim Bykov ,&nbsp;Eleanor Lawrence Bright ,&nbsp;Jonathan Wright ,&nbsp;Davide Comboni ,&nbsp;Michael Hanfland ,&nbsp;Natalia Dubrovinskaia ,&nbsp;Leonid Dubrovinsky","doi":"10.1016/j.carbon.2024.119374","DOIUrl":null,"url":null,"abstract":"<div><p>Exploring the chemistry of materials at high pressure leads to discoveries of previously unknown compounds and phenomena. Here chemical reactions between elemental dysprosium and carbon were studied in laser-heated diamond anvil cells at pressures up to 95 GPa and temperatures of ∼2800 K. <em>In situ</em> single-crystal synchrotron X-ray diffraction (SCXRD) analysis of the reaction products revealed the formation of novel dysprosium carbides, γ-DyC<sub>2</sub>, Dy<sub>5</sub>C<sub>9</sub>, and γ-Dy<sub>4</sub>C<sub>5</sub>, along with previously reported Dy<sub>3</sub>C<sub>2</sub> and Dy<sub>4</sub>C<sub>3</sub>. The crystal structures of γ-DyC<sub>2</sub> and Dy<sub>5</sub>C<sub>9</sub> feature infinite flat carbon polyacene-like ribbons and <em>cis</em>-polyacetylene-type chains, respectively. In the structure of γ-Dy<sub>4</sub>C<sub>5</sub>, carbon atoms form dimers and non-linear trimers. Dy<sub>3</sub>C<sub>2</sub> contains ethanide-type carbon dumbbells, and Dy<sub>4</sub>C<sub>3</sub> is methanide featuring single carbon atoms. Density functional theory calculations reproduce well the crystal structures of high-pressure dysprosium carbides and reveal conjugated <em>π</em>-electron systems in novel infinite carbon polyanions. This work demonstrates that complex carbon homoatomic species previously unknown in organic chemistry can be synthesized at high pressures by direct reactions of carbon with metals.</p></div>","PeriodicalId":262,"journal":{"name":"Carbon","volume":null,"pages":null},"PeriodicalIF":10.5000,"publicationDate":"2024-06-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0008622324005931/pdfft?md5=0458a7a8326a1a702e22f602373f5dc1&pid=1-s2.0-S0008622324005931-main.pdf","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Carbon","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0008622324005931","RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0

Abstract

Exploring the chemistry of materials at high pressure leads to discoveries of previously unknown compounds and phenomena. Here chemical reactions between elemental dysprosium and carbon were studied in laser-heated diamond anvil cells at pressures up to 95 GPa and temperatures of ∼2800 K. In situ single-crystal synchrotron X-ray diffraction (SCXRD) analysis of the reaction products revealed the formation of novel dysprosium carbides, γ-DyC2, Dy5C9, and γ-Dy4C5, along with previously reported Dy3C2 and Dy4C3. The crystal structures of γ-DyC2 and Dy5C9 feature infinite flat carbon polyacene-like ribbons and cis-polyacetylene-type chains, respectively. In the structure of γ-Dy4C5, carbon atoms form dimers and non-linear trimers. Dy3C2 contains ethanide-type carbon dumbbells, and Dy4C3 is methanide featuring single carbon atoms. Density functional theory calculations reproduce well the crystal structures of high-pressure dysprosium carbides and reveal conjugated π-electron systems in novel infinite carbon polyanions. This work demonstrates that complex carbon homoatomic species previously unknown in organic chemistry can be synthesized at high pressures by direct reactions of carbon with metals.

Abstract Image

查看原文
分享 分享
微信好友 朋友圈 QQ好友 复制链接
本刊更多论文
含碳二聚体、三聚体、碳链和碳带的高压镝碳化物
在高压下探索材料的化学性质可以发现以前未知的化合物和现象。对反应产物的原位单晶同步辐射 X 射线衍射(SCXRD)分析表明,除了以前报道过的 Dy3C2 和 Dy4C3 外,还形成了新型镝碳化物 γ-DyC2、Dy5C9 和 γ-Dy4C5。γ-DyC2和Dy5C9的晶体结构分别具有无限扁平的碳聚乙炔类带和顺式聚乙炔类链。在 γ-Dy4C5 的结构中,碳原子形成二聚体和非线性三聚体。Dy3C2 包含乙烷型碳哑铃,而 Dy4C3 则是以单碳原子为特征的甲烷化物。密度泛函理论计算很好地再现了高压碳化镝的晶体结构,并揭示了新型无限碳多阳离子中的共轭π电子系统。这项研究表明,通过碳与金属的直接反应,可以在高压下合成以前在有机化学中未知的复杂碳同原子物种。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 去求助
来源期刊
Carbon
Carbon 工程技术-材料科学:综合
CiteScore
20.80
自引率
7.30%
发文量
0
审稿时长
23 days
期刊介绍: The journal Carbon is an international multidisciplinary forum for communicating scientific advances in the field of carbon materials. It reports new findings related to the formation, structure, properties, behaviors, and technological applications of carbons. Carbons are a broad class of ordered or disordered solid phases composed primarily of elemental carbon, including but not limited to carbon black, carbon fibers and filaments, carbon nanotubes, diamond and diamond-like carbon, fullerenes, glassy carbon, graphite, graphene, graphene-oxide, porous carbons, pyrolytic carbon, and other sp2 and non-sp2 hybridized carbon systems. Carbon is the companion title to the open access journal Carbon Trends. Relevant application areas for carbon materials include biology and medicine, catalysis, electronic, optoelectronic, spintronic, high-frequency, and photonic devices, energy storage and conversion systems, environmental applications and water treatment, smart materials and systems, and structural and thermal applications.
期刊最新文献
Redox-active hydrogel electrolytes for carbon-based flexible supercapacitors over a wide temperature range New insights into the role of nitrogen doping in microporous carbon on the capacitive charge storage mechanism: from ab initio to machine learning accelerated molecular dynamics Mechanics of microblister tests in 2D materials accounting for frictional slippage Controllable preparation of carbon nanofiber membranes for enhanced flexibility and permeability Copper molybdenum sulfide coupled with multi-walled carbon nanotube nanocomposite for robust water splitting process
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
已复制链接
已复制链接
快去分享给好友吧!
我知道了
×
扫码分享
扫码分享
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1