Investigation of interfacial thermal transport across graphene and an organic semiconductor using molecular dynamics simulations
文献信息
Xinyu Wang, Jingchao Zhang, Yue Chen, Paddy K. L. Chan
The interfacial thermal transport across graphene and an organic semiconductor, dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene (DNTT), is investigated using molecular dynamics simulations. The average thermal boundary resistance (TBR) of graphene and DNTT is 4.88 ± 0.12 × 10−8 m2 K W−1 at 300 K. We find that TBR of a graphene–DNTT heterostructure possesses as high as 83.4% reduction after the hydrogenation of graphene. Moreover, as the graphene vacancy increases from 0% to 6%, the TBR drops up to 39.6%. The reduction of TBR is mainly attributed to the coupling enhancement of graphene and DNTT phonons as evaluated from the phonon density of states. On the other hand, TBR keeps a constant value while the vacancy in the DNTT layer increases. The TBR would decrease when the temperature and coupling strength increase. These findings provide a useful guideline for the thermal management of the graphene-based organic electronic devices, especially the large area transistor arrays or sensors.
相关文献
Thermally-induced intramolecular [2 + 2] cycloaddition of acrylamide-tethered alkylidenecyclopropanes
Xiao-Yu Zhang, Song Yang, Yin Wei
DOI: 10.1039/C8OB01765D
Rapid and reversible hydrazone bioconjugation in cells without the use of extraneous catalysts
Rahul Nisal, Gregor P. Jose, Chitra Shanbhag, Jeet Kalia
DOI: 10.1039/C8OB00946E
Synthesis of amidines via iron-catalyzed dearomative amination of β-naphthols with oxadiazolones
Yan-Hui Fan, Xiao-Yu Guan, Wen-Pei Li, Cheng-Zhou Lin, De-Xian Bing, Mei-Zhi Sun, Guo Cheng, Jing Cao, Jun-Jie Chen, Qing-Hai Deng
DOI: 10.1039/D1QO01687C
Water-promoted regio-selective trifluoromethylation of vinyl conjugated diazoacetates
Xinxin Han, Xin Liu, Yueyun Bao, Hunahuan Song, Yu-Rou Zhao, Xiaoying Wang, Junjie Zhang, Le Liu, Xin-Hua Duan, Jinbo Hu, Mingyou Hu
DOI: 10.1039/D1QO01654G
Key role of a π–π complex in diaryl cross-coupling between aryldiazonium salts and arylboronic acids using photosensitizer-free gold/photoredox catalysis
Yanhong Liu, Rongxiu Zhu, Chengbu Liu, Dongju Zhang
DOI: 10.1039/D1QO01464A
A transition-metal-free, base-promoted annulation/ring-cleavage/ring-reconstruction cascade reaction: a facile access to N-protection free indole-indenones
Na Luo, Zhen-Wei Sun, Xing-Xin Xu, Xiao-Qiang Hu, Feng-Cheng Jia
DOI: 10.1039/D1QO01280K
Gold self-relay catalysis for accessing functionalized cyclopentenones bearing an all-carbon quaternary stereocenter
Fan-Tao Meng, Jing-Long Chen, Xiao-Yan Qin, Tian-Shu Zhang, Shu-Jiang Tu, Bo Jiang, Wen-Juan Hao
DOI: 10.1039/D1QO01313K
Nickel-catalyzed electrochemical reductive relay cross-coupling of alkyl halides with alkyl carboxylic acids
Cong Ma, Dong Liu, Hui Qiu, Bin Cheng, Tian-Sheng Mei
DOI: 10.1039/D1QO01219C
Regioselective nitration of anilines with Fe(NO3)3·9H2O as a promoter and a nitro source
Yang Gao, Yuanyou Mao, Biwei Zhang, Yingying Zhan, Yanping Huo
DOI: 10.1039/C8OB00841H
您可能还喜欢
如何处理含有8-氯咪唑并[1,2-A]吡嗪(CAS号:69214-33-1)的废料?
处理含有8-氯咪唑并[1,2-A]吡嗪的废料时,应首先将其收集并进行化学回收或降解。如果无法回收,需采用安全的化学处理方法,如中和、氧化还原或沉淀。处理过程中需...
Calhex 231 hydrochloride(CAS号:2387505-78-2)适用哪些法规指南?
Calhex 231 hydrochloride 需要遵循《全球化学品统一分类和标签制度》(GHS)的分类和标签要求,以及欧盟的《化学品注册、评估、授权和限制条...
11-Beta,17-alpha,21-三羟基-5-beta-孕烯-3,20-二酮(CAS号:1482-50-4)的物理化学性质是什么?
11-Beta,17-alpha,21-三羟基-5-beta-孕烯-3,20-二酮是一种无色结晶性粉末,分子量为372.45 g/mol。该化合物在水中的溶解度...
处理5-异丙基-1,3,4-恶二唑-2-羧酸(CAS号:944907-13-5)时应注意哪些实验室安全事项?
处理5-异丙基-1,3,4-恶二唑-2-羧酸时应注意以下安全事项:穿戴适当的个人防护装备,包括实验室外套、手套和护目镜;操作应在通风橱中进行,以减少吸入或接触有...
benzyl 3-bromopropanoate(CAS号:90841-55-7)安全吗?
Benzyl 3-bromopropanoate属于有毒物质,吸入、摄入或皮肤接触均可能对人体造成伤害。操作时应佩戴防护眼镜、口罩和手套,避免吸入蒸汽和直接接触...
什么是(R)-N-苄氧羰基-3,4-二氢-1H-异喹啉羧酸(CAS号:151004-88-5)?
(R)-N-苄氧羰基-3,4-二氢-1H-异喹啉羧酸是一种含有苄氧羰基和异喹啉环结构的化合物,分子式为C17H15NO3。它是一种有机化合物,具有一定的生物活性...
在合成中是否有1-苄基吡啶嗡-3-羧酸盐(CAS号:15990-43-9)的替代品?
可以考虑使用1-苄基吡啶-3-羧酸盐作为1-苄基吡啶嗡-3-羧酸盐的替代品。此外,还可以探索其他类似物,如1-苄基吡啶-3-氨基甲酸酯等。具体的替代品选择需根据...
(2,6-二甲基吡啶-3-基)甲醇(CAS号:582303-10-4)安全吗?
(2,6-二甲基吡啶-3-基)甲醇在使用时需注意安全,应避免吸入其蒸汽,接触皮肤和眼睛。操作应在通风良好的环境中进行,佩戴适当的个人防护装备。
5-溴-2-乙烯基吡啶(CAS号:226883-52-9)的物理化学性质是什么?
5-溴-2-乙烯基吡啶是一种有机化合物,外观为白色固体,具有良好的结晶性。分子量约为190.03 g/mol。它的溶解性在水中较差,但在有机溶剂如二氯甲烷、甲醇...
2-羟基-3-硝基-5-甲基吡啶(CAS号:7464-14-4)应用于哪些行业?
2-羟基-3-硝基-5-甲基吡啶主要应用于医药、聚合物和半导体行业。在医药领域,它可以用作合成其他药物的中间体。在聚合物领域,它可以作为功能性单体参与聚合反应,...
来源期刊
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.













![N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-beta-phenyl-L-phenylalanine structure N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-beta-phenyl-L-phenylalanine structure](https://cnstatic.chemtradehub.com/structs/201/201484-50-6-c2fc.webp)
