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The electronic properties of the layered black phosphorus (black-P) and its monolayer counterpart phosphorene are investigated by using the first-principles calculations based on the density functional theory (DFT). The room-temperature…

Materials Science · Physics 2014-04-22 H. Y. Lv , W. J. Lu , D. F. Shao , Y. P. Sun

The newly emerging monolayer phosphorene was recently predicted to be a promising thermoelectric material. In this work, we propose to further enhance the thermoelectric performance of phosphorene by the strain-induced band convergence. The…

Mesoscale and Nanoscale Physics · Physics 2015-06-22 H. Y. Lv , W. J. Lu , D. F. Shao , Y. P. Sun

While the thermoelectric figure of merit zT above 300K has seen significant improvement recently, the progress at lower temperatures has been slow, mainly limited by the relatively low Seebeck coefficient and high thermal conductivity. Here…

Materials Science · Physics 2016-02-17 Jiawei Zhou , Bolin Liao , Bo Qiu , Samuel Huberman , Keivan Esfarjani , Mildred S. Dresselhaus , Gang Chen

The thermoelectric figure of merit ZT, which is defined using electrical conductivity, Seebeck coefficient, thermal conductivity, and absolute temperature T, has been widely used as a simple estimator of the conversion efficiency of a…

Applied Physics · Physics 2020-05-18 Byungki Ryu , Jaywan Chung , Eun-Ae Choi , Pawel Ziolkowski , Eckhard Müller , SuDong Park

The Seebeck coefficient is an important quantity in determining the thermoelectric efficiency of a material. Phosphorene is a two-dimensional material with a puckered structure, which makes its properties anisotropic. In this work, a…

Materials Science · Physics 2023-01-05 M. Amir Bazrafshan , Farhad Khoeini

The potential of bulk black-phosphorus for thermoelectric applications has been experimentally studied. The Seebeck Coefficient (S) has been measured in the temperature range from 300 K to 385 K, finding a value of S = +335 +- 10 uV/K at…

Few-layer black phosphorus has recently emerged as a promising candidate for novel electronic and optoelectronic device. Here we demonstrate by first-principles calculations and Boltzmann theory that, black phosphorus could also have…

Materials Science · Physics 2016-06-08 J. Zhang , H. J. Liu , L. Cheng , J. Wei , J. H. Liang , D. D. Fan , P. H. Jiang , L. Sun , J. Shi

The bottleneck in modern thermoelectric power generation and cooling is the low energy conversion efficiency of thermoelectric materials. The detrimental effects of lattice phonons on performance can be mitigated, but achieving a high…

Thermoelectric materials intrigue much interest due to their wide range of application such as power generators and refrigerators. The efficiency of thermoelectric materials is quantified by the figure of merit, and a figure greater than…

Mesoscale and Nanoscale Physics · Physics 2022-02-16 Masashi Hosoi , Ikuma Tateishi , Hiroyasu Matsuura , Masao Ogata

We performed Boltzmann transport calculation to obtain the Seebeck coefficient, electrical conductivity, electronic thermal conductivity, and thermoelectric figure of merit (ZT) for Dirac systems. We found an enhancement of ZT due to the…

Mesoscale and Nanoscale Physics · Physics 2018-10-04 Eddwi H. Hasdeo , Lukas P. A. Krisna , Ahmad R. T. Nugraha

Phosphorene, the single layer counterpart of black phosphorus, is a novel two-dimensional semiconductor with high carrier mobility and a large fundamental direct band gap, which has attracted tremendous interest recently. Its potential…

Materials Science · Physics 2015-02-06 Guangzhao Qin , Qing-Bo Yan , Zhenzhen Qin , Sheng-Ying Yue , Ming Hu , Gang Su

We study the thermoelectric properties of three-dimensional topological insulators in magnetic fields with many holes (or pores) in the bulk. We find that at high density of these holes in the transport direction the thermoelectric figure…

Mesoscale and Nanoscale Physics · Physics 2012-03-15 O. A. Tretiakov , Ar. Abanov , Jairo Sinova

We apply the generalized Boltzmann theory to describe thermoelectric transport properties of monolayer phosphorene in the presence of short- and long-range charged impurity interactions. First, we propose a low-energy Hamiltonian to explore…

Mesoscale and Nanoscale Physics · Physics 2017-01-27 Moslem Zare , Babak Zare Rameshti , Farnood G. Ghamsari , Reza Asgari

Organic semiconductors have attracted increasing interest as thermoelectric converters in recent years due to their intrinsically low thermal conductivity compared to inorganic materials. This boom has led to encouraging practical results,…

Materials Science · Physics 2021-03-08 Dorothea Scheunemann , Martijn Kemerink

The enhancement of thermoelectric figure of merit ZT requires to either increase the power factor or reduce the phonon conductance, or even both. In graphene, the high phonon thermal conductivity is the main factor limiting the…

Mesoscale and Nanoscale Physics · Physics 2016-09-19 Van-Truong Tran , Jérôme Saint-Martin , Philippe Dollfus , Sebastian Volz

The quest for high-efficiency heat-to-electricity conversion has been one of the major driving forces towards renewable energy production for the future. Efficient thermoelectric devices require high voltage generation from a temperature…

Materials Science · Physics 2017-03-08 Kedar Hippalgaonkar , Ying Wang , Yu Ye , Diana Qiu , Hanyu Zhu , Yuan Wang , Joel Moore , Steven Louie , Xiang Zhang

The efficiency of energy conversion in thermoelectric generators (TEGs) is directly proportional to electrical conductivity and Seebeck coefficient while inversely to thermal conductivity. The challenge is to optimize these interdependent…

In the ongoing search for innovative thermoelectric (TE) materials with superior TE performance globally, we aim to investigate the possible use of half-Heusler alloy CoHfSi in TE applications. We analyzed the structure stability,…

Materials Science · Physics 2025-06-27 Sadhana Matth , S. Pandey , Himanshu Pandey

Whether porosity can effectively improve thermoelectric performance is still an open question. Herein we report that thermoelectric performance can be significantly enhanced by creating porosity in n-type Mg3.225Mn0.025Sb1.5Bi0.49Te0.01,…

Nanostructured materials have emerged as an alternative to enhance the figure of merit (ZT) of thermoelectric (TE) devices. Graphene exhibits a high electrical conductivity (in-plane) that is necessary for a high ZT; however, this effect is…

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