naa a22 4500 51080215X CHVBK 20180411083400.0 cr unu---uuuuu 180411e20130701xx s 000 0 eng 10.1007/s11664-012-2410-1 doi (NATIONALLICENCE)springer-10.1007/s11664-012-2410-1 Thermoelectric Properties of Li-Intercalated ZrSe2 Single Crystals [Elektronische Daten] [Tim Holgate, YuFei Liu, Dale Hitchcock, Terry Tritt, Jian He] Zirconium diselenide (ZrSe2) is one of many members of the layer-structured transition-metal dichalcogenide family. The structure of these materials features a weakly bonded van der Waals gap between covalently bonded CdI2-type atomic layers that may host a wide range of intercalants. Intercalation can profoundly affect the structural, thermal, and electronic properties of such materials. While the thermoelectric potential of layer-structured transition-metal dichalcogenides has been formerly studied by several groups, to our best knowledge, neither the thermoelectric properties of ZrSe2 nor the impact of intercalation on its thermoelectric properties have been reported (specifically, the full evaluation of the dimensionless figure of merit, ZT, which includes the thermal conductivity). In this proof-of-principle study, ZrSe2 single crystals have been synthesized using an iodine-assisted vapor transport method, followed by a wet-chemistry lithium intercalation process. The results of resistivity, thermopower, and thermal conductivity measurements between 10K and 300K show that Li intercalation induced additional charge carriers and structural disorder that favorably affected the thermoelectric properties of the material. As a result, a dimensionless figure of merit ZT≈0.26 has been attained at room temperature in a Li-intercalated sample, representing nearly a factor of three improvement compared with the pristine sample. These improvements, along with the abundance, relatively low toxicity, and low cost of such materials, merit further thermoelectric investigations of intercalated zirconium diselenide, especially in conjunction with a substitutional doping approach. TMS, 2013 Thermoelectric nationallicence transition metal nationallicence dichalcogenide nationallicence intercalation nationallicence lithium nationallicence zirconium diselenide nationallicence Holgate Tim Department of Energy Conversion and Storage, Technical University of Denmark—Risø Campus, Frederiksborgvej 399, Building 779, 4000, Roskilde, Denmark aut Liu YuFei Department of Physics and Astronomy, Clemson University, 118 Kinard Hall, 29634, Clemson, SC, USA aut Hitchcock Dale Department of Physics and Astronomy, Clemson University, 118 Kinard Hall, 29634, Clemson, SC, USA aut Tritt Terry Department of Physics and Astronomy, Clemson University, 118 Kinard Hall, 29634, Clemson, SC, USA aut He Jian Department of Physics and Astronomy, Clemson University, 118 Kinard Hall, 29634, Clemson, SC, USA aut Journal of Electronic Materials Springer US; http://www.springer-ny.com 42/7(2013-07-01), 1751-1755 0361-5235 42:7<1751 2013 42 11664 https://doi.org/10.1007/s11664-012-2410-1 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s11664-012-2410-1 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Holgate Tim Department of Energy Conversion and Storage, Technical University of Denmark—Risø Campus, Frederiksborgvej 399, Building 779, 4000, Roskilde, Denmark aut NATIONALLICENCE 700 1- Liu YuFei Department of Physics and Astronomy, Clemson University, 118 Kinard Hall, 29634, Clemson, SC, USA aut NATIONALLICENCE 700 1- Hitchcock Dale Department of Physics and Astronomy, Clemson University, 118 Kinard Hall, 29634, Clemson, SC, USA aut NATIONALLICENCE 700 1- Tritt Terry Department of Physics and Astronomy, Clemson University, 118 Kinard Hall, 29634, Clemson, SC, USA aut NATIONALLICENCE 700 1- He Jian Department of Physics and Astronomy, Clemson University, 118 Kinard Hall, 29634, Clemson, SC, USA aut NATIONALLICENCE 773 0- Journal of Electronic Materials Springer US; http://www.springer-ny.com 42/7(2013-07-01), 1751-1755 0361-5235 42:7<1751 2013 42 11664 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer