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The thermal conductivity of covalent organic frameworks (COFs), an emerging class of nanoporous polymeric materials, is crucial for many applications, yet the link between their structure and thermal properties remains poorly understood.…

Computational Engineering, Finance, and Science · Computer Science 2025-10-20 Prakash Thakolkaran , Yiwen Zheng , Yaqi Guo , Aniruddh Vashisth , Siddhant Kumar

Covalent Organic Frameworks (COFs) are versatile two-dimensional (2D) materials for flexible electronics, catalysis, and sensing, owing to their tunable architectures and large surface areas. However, like most materials, COFs inevitably…

Metal-organic frameworks (MOFs) are a family of materials that have high porosity and structural tunability and hold great potential in various applications, many of which requiring a proper understanding of the thermal transport…

Materials Science · Physics 2023-08-04 Penghua Ying , Ting Liang , Ke Xu , Jin Zhang , Jianbin Xu , Zheng Zhong , Zheyong Fan

While crystalline materials with glass-like thermal conductivity are fundamentally intriguing, structurally triggering the transition from propagating to diffusive heat transport within a single framework remains a formidable challenge.…

Soft Condensed Matter · Physics 2026-04-07 Penghua Ying , Ting Liang , Yun Chen , Yan Chen , Shiyun Xiong , Zheyong Fan , Jianbin Xu , Yilun Liu

Thermal transport properties of amorphous carbon has attracted increasing attention due to its extreme thermal properties: It has been reported to have among the highest thermal conductivity for bulk amorphous solids up to $\sim$ 37…

Disordered Systems and Neural Networks · Physics 2024-05-14 Jaeyun Moon , Zhiting Tian

Thermal transport in metal-organic frameworks (MOFs) is of practical interest in diverse applications such as gas storage and separations, since insufficient heat dissipation can lead to detrimental effects. Despite investigations,…

Materials Science · Physics 2025-09-24 Hyunseok Oh , Taeyong Kim

A complex approach phonon quantum discrete model (PQDM) was developed to describe dynamics, kinetics and statistics of phonons in carbon nanostructures with zero-chirality of both zig-zag and armchair geometry. The model allows include into…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 E. Ya. Glushko , V. N. Evteev , M. V. Moiseenko , N. A. Slusarenko , A. A. Zakhidov

Thermal conductivity of aligned polymer molecules can be exceptionally high along the alignment direction due to energy transport through strong covalent bonds. At the same time, it is highly sensitive to molecular conformation, varying by…

Chemical Physics · Physics 2026-04-29 Igor V. Parshin , Igor V. Rubtsov , Alexander L. Burin

Layered conductive metal-organic frameworks (LCMOFs) show great promise in energy and electronics due to their high electrical conductivity and tunable pore structures. They are considered ideal "phonon-glass, electron-crystal" materials.…

Carbon atomic chain, linear benzene polymers, and carbon nanothreads are all one-dimensional (1D) ultrathin carbon structures. They possess excellent electronic and mechanical properties; however, their thermal transport properties have…

Materials Science · Physics 2020-01-08 Jing Xue , Yuee Xie1 , Qing Peng , Yuanping Chen

We report measurements of the heat capacity and cross-plane thermal conductivity of 2D (CxH2x+1NH3)2[MAPbBr3]n-1PbBr4 (MA = methylammonium) lead bromide perovskites (2D LHPs) at room temperature as a function of both the octahedral layer…

Applied Physics · Physics 2023-03-31 Nabeel S. Dahod , Watcharaphol Paritmongkol , William A. Tisdale

Group-VI transition metal dichalcogenides (TMDs), MoS$_2$ and MoSe$_2$, have emerged as prototypical low-dimensional systems with distinctive phononic and electronic properties, making them attractive for applications in nanoelectronics,…

Materials Science · Physics 2025-09-18 Tugbey Kocabas , Murat Keceli , Tanju Gurel , Milorad Milosevic , Cem Sevik

Coherent wave effects of thermal phonons hold promise of transformative opportunities in thermal transport control but remain largely unexplored due to the small wavelength of thermal phonons, typically below a few nanometers. This small…

Materials Science · Physics 2019-10-09 Usama Choudhry , Shengying Yue , Bolin Liao

Controlling the transport of thermal energy is key to most applications of metal-organic frameworks. Analyzing the evolution of the effective local temperature, the interfaces between the metal nodes and the organic linkers are identified…

We have performed both in-plane resistivity, Hall effect and specific heat measurements on the thermoelectric cobalt oxide Ca$_{3}$Co$_{4}$O$_{9}$. Four distinct transport regimes are found as a function of temperature, corresponding to a…

Strongly Correlated Electrons · Physics 2007-05-23 P. Limelette , V. Hardy , P. Auban-Senzier , D. Jerome , D. Flahaut , S. Hebert , R. Fresard , Ch. Simon , J. Noudem , A. Maignan

Covalent organic frameworks (COFs) are promising adsorbents for gas adsorption and separation, while identifying the optimal structures among their vast design space requires efficient high-throughput screening. Conventional…

Machine Learning · Computer Science 2026-03-24 Zihan Li , Mingyang Wan , Mingyu Gao , Xishi Tai , Zhongshan Chen , Xiangke Wang , Feifan Zhang

It is textbookly regarded that phonons, i.e., an energy quantum of propagating lattice waves, are the main heat carriers in perfect crystals. As a result, in many crystals, e.g., bulk silicon, the temperature-dependent thermal conductivity…

Materials Science · Physics 2020-09-18 Yanguang Zhou , Yufei Gao , Sebastian Volz

Molecular dynamics simulations combined with periodic electronic structure calculations are performed to decipher structural, thermodynamical and dynamical properties of the interfaced vs. confined water adsorbed in hexagonal 1D channels of…

Materials Science · Physics 2020-11-17 Mohammad R. Momeni , Zeyu Zhang , David Dell'Angelo , Farnaz A. Shakib

We consider phononic heat transport through molecular chains connecting two thermal reservoirs. For relatively short molecules at normal temperatures heat conduction is dominated by the harmonic part of the molecular force-field. We develop…

Chemical Physics · Physics 2009-11-10 Dvira Segal , Abraham Nitzan , Peter Hanggi

The heat transfer properties of the organic molecular crystal ${\alpha}$-RDX were studied using three phonon-based thermal conductivity models. It was found that the widely used Peierls-Boltzmann model for thermal transport in crystalline…

Materials Science · Physics 2020-07-20 Gaurav Kumar , Francis G. VanGessel , Daniel C. Elton , Peter W. Chung
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