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Charge transfer of carbon nanomaterials for efficient metal‐free electrocatalysis

Interdisciplinary Materials 2022年第1期1卷 28-50页

作者： Rajib Paul Qingfeng Zhai ajit k.roy Liming Dai Department of Macromolecular Science and Engineering Case School of EngineeringCase Western Reserve UniversityClevelandOhioUSA Australian Carbon Materials Centre(A-CMC) School of Chemical EngineeringUniversity of New South WalesSydneyNew South WalesAustralia Materials and Manufacturing Directorate Air Force Research LaboratoryDaytonOhioUSA

Recently,carbon-based metal-free electrocatalysts(C‐MFECs)have drawn considerable research attention because of their attractive physicochemical characteristics,cost-effectiveness,and ability to convert and store energy *** intramolecular charge transfer among different parts of the carbon electrocatalyst and/or intermolecular charge transfer between elec-trocatalyst and electrolyte dictate the ultimate energy conversion *** results and theoretical analyses have demonstrated that rational design of metal-free carbon nanomaterials,coupled with proper in-tramolecular charge transfer through heteroatom doping,incorporation of Stone-Wales defects,and/or intermolecular charge transfer through adsorp-tion of appropriate molecules/moieties,can promote efficient *** this article,we will first provide the related theoretical principles and then present an overview on the rational design and development of C-MFECs for efficient charge transfer,followed by elucidating charge-transfer processes for different electrocatalytic reactions related to renewable energy conversion and environmental remediation ***,the current challenges and future perspectives in this exciting field will be discussed.

关键词： carbon catalyst charge transfer defect doping

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The lattice Boltzmann Peierls Callaway equation for mesoscopic thermal transport modeling

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International Journal of Smart and Nano Materials 2012年第1期3卷 47-63页

作者： Jonghoon Lee Sangwook Sihn ajit k.roy Barry L.Farmer Thermal Sciences and Materials Branch Materials and Manufacturing DirectorateAir Force Research LaboratoryWright Patterson Air Force BaseOhio 45433USA Universal Technology Corporation 1270 N.Fairfield Rd.DaytonOH 45432USA University of Dayton Research Institute 300 College ParkDaytonOhio 45469USA Materials and Manufacturing Directorate Air Force Research LaboratoryWright Patterson Air Force BaseOhio 45433USA

The lattice Boltzmann Peierls Callaway(LBPC)method is a recent development of the versatile lattice Boltzmann formalism aimed at a numerical experiment on mesoscale thermal transport in a multiphase phonon *** aspects of mesoscopic thermal trans-port are discussed:the finite phonon mean free path and the interface thermal *** on the phonon momentum screening length measured in the LBPC computa-tional apparatus,the validity of the Umklapp collision relaxation time in the Callaway collision operator is examined *** discrete nature of the spatio-temporal domain in the LBPC method,along with the linear approximation of the exponential screening mechanism in the Callaway operator,reveals a large discrepancy between the effective phonon mean free path and the analytic phonon mean free path when the relaxation time is *** link bounce back interface phonon collision rule is used to realize the interface thermal resistance between phonon gases with dissimilar dispersion *** with the Callaway collision operator for the bulk phonon dynam-ics,the interface phonon collision process is regarded as a linear relaxation mechanism toward the local pseudo-equilibrium phonon distribution uniquely defined by the energy conservation *** interface thermal resistance is linearly proportional to the relaxation time of the proposed phonon interface collision rule.

关键词： lattice Boltzmann method link bounce back collision rule Boltzmann Peierls equation phonon hydrodynamics kapitza length interfacial thermal resistance

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