41 citations · 126 across the 17 of their papers we have counts for
17 papers
Lattice Instability and Ultralow Lattice Thermal Conductivity of Layered PbIF
N. Yedukondalu, Aamir Shafique, S. C. Rakesh Roshan +5
Understanding the interplay between various design strategies (for instance, bonding heterogeneity and lone pair induced anharmonicity) to achieve ultralow lattice thermal conducti…
Length Dependence thermal conductivity of Zinc-Selenide (ZnSe) and Zinc Telluride (ZnTe)- A combined first principles and Frequency Domain Thermoreflectance (FDTR) study
Rajmohan Muthaiah, Roshan Sameer Annam, Fatema Tarannum +4
In this study, we report the length dependence of thermal conductivity (k) of zinc-blende Zinc-Selenide (ZnSe) and Zinc Telluride (ZnTe) for length scales between 10 nm and 10000 n…
A comparative study of auxiliary intercalating agents on thermal conductivity of expanded graphite/polyetherimide composite
Fatema Tarannum, Swapneel Danayat, Avinash Nayal +3
In this work, we have comprehensively studied the effect of auxiliary intercalating agents on the thermal conductivity of expanded graphite (EG) polymer composites. We report an ul…
Thermally expanded graphite polyetherimide composite with superior electrical and thermal conductivity
Fatema Tarannum, Swapneel Danayat, Avinash Nayal +3
Thermally expanded graphite (EG) polymer composite has high potential in modern thermoelectronic industry due to cost effectiveness, excellent electrical and thermal properties. In…
Large enhancement in thermal conductivity of solvent cast expanded-graphite/polyetherimide composites
Fatema Tarannum, Swapneel Danayat, Avinash Nayal +2
We demonstrate in this work, that expanded graphite (EG) can lead to a very large enhancement in thermal conductivity of polyetherimide-graphene and epoxy-graphene nanocomposites p…
First principles investigation of high thermal conductivity in hexagonal boron phosphide
Rajmohan Muthaiah, Fatema Tarannum, N. Yedukondalu +1
Designing and searching for high lattice thermal conductivity materials in both bulk and nanoscale level is highly demanding for electronics cooling. Boron phosphide is a III-V com…
Superior effect of edge relative to basal plane functionalization of graphene in enhancing polymer-graphene nanocomposite thermal conductivity-A combined molecular dynamics and Greens functions study
Rajmohan Muthaiah, Fatema Tarannum, Swapneel Danayat +4
To achieve high thermal conductivity (k) of polymer graphene nanocomposites, it is critically important to achieve efficient thermal coupling between graphene and its surrounding p…
Superior enhancement in thermal conductivity of epoxy/graphene nanocomposites through use of dimethylformamide (DMF) relative to acetone as solvent
Swapneel Danayat, Avinash Singh Nayal, Fatema Tarannum +3
In this work, we demonstrate that use of dimethylformamide (DMF) as a solvent leads to better dispersion of graphene nanoplatelets in epoxy matrix compared to acetone solvent, in t…
Chemically edge-carboxylated graphene enhances thermal conductivity of polyetherimide-graphene nanocomposites
Fatema Tarannum, Rajmohan Muthaiah, Swapneel Danayat +4
In this work, we demonstrate that edge-oxidation of graphene can enable larger enhancement in thermal conductivity (k) of graphene-nanoplatelet (GnP)/polyetherimide (PEI) composite…
Anomalous Lattice Thermal Conductivity in Rocksalt IIA-VIA Compounds
S. C. Rakesh Roshan, N. Yedukondalu, Rajmohan Muthaiah +6
Materials with an intrinsic (ultra)low lattice thermal conductivity (k) are critically important for the development of efficient energy conversion devices. In the present work…
First principles investigation of high thermal conductivity in hexagonal germanium carbide(2H-GeC)
Rajmohan Muthaiah, Jivtesh Garg
Designing and searching for a high thermal conductivity material in both bulk and nanoscale is highly demanding for electronics cooling. In this work, we studied the thermal conduc…
Ultrahard BC5 -- an efficient nanoscale heat conductor through dominant contribution of optical phonons
Rajmohan Muthaiah, Jivtesh Garg, Shamsul Arafin
In this work, we study thermal conductivity (k) of BC5, an ultra-hard diamondlike semiconductor material, using first-principles computations and analyze the effect of both isotopi…
Ultrahigh thermal conductivity in hexagonal BC6N- An efficient material for nanoscale thermal management- A first principles study
Rajmohan Muthaiah, Jivtesh Garg
Engineering materials with high thermal conductivity are of fundamental interest for efficiently dissipating heat in micro/nanoelectronics. Using first principles computations we r…
Thermal conductivity of Magnesium Telluride (MgTe) -- A first principles study
Rajmohan Muthaiah, Jivtesh Garg
In this work, we report thermal conductivity(k) of magnesium telluride (MgTe) with various crystallographic phases such as rocksalt, zincblende, wurtzite and nickel arsenic (NiAs)…
First principles investigation of thermal conductivity in Magnesium Selenide(MgSe) with different crystalline phase
Rajmohan Muthaiah, Jivtesh Garg
Magnesium Selenide (MgSe) is a wide bandgap semiconductor with applications in optoelectronics and energy conversion technologies. Understanding thermal conductivity (k) of MgSe is…
Ultra-low lattice thermal conductivity of MgPbTe -- A first principles study
Rajmohan Muthaiah, Jivtesh Garg
Thermoelectric technology is an alternate way to efficiently utilize the energy by converting waste heat into electricity. Thermoelectric requires material with low thermal conduct…
Temperature Effects in the thermal conductivity of aligned amorphous Polyethylene -- A molecular Dynamics study
Rajmohan Muthaiah, Jivtesh Garg
We analyze, through molecular dynamics simulations, the temperature dependence of the thermal conductivity (k) of chain-oriented amorphous polyethylene (PE). We find that at increa…