Peer-Reviewed Journal Articles
52. An electronic transport ab initio database for inorganic materials
F. Ricci, W. Chen, U. Aydemir, G. J. Snyder, G.-M. Rignanese, A. Jain, G. Hautier*, Sci. Data, 2017, (accepted).
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51. Mechanical Properties of Thermoelectric Lanthanum Telluride from Quantum Mechanics
G. Li*, U. Aydemir, M. Wood, W. Goddard, P. Zhai, Q. Zhang, G. J. Snyder*, J. Phys. D: Appl. Phys., 2017, doi: 10.1088/1361-6463/aa7625
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50. Enhanced Stability and Thermoelectric Figure-of-Merit in Copper Selenide by Lithium Doping.
S. D. Kang, J.-H. Pöhls, U. Aydemir, P. Qiu, C. C. Stoumpos, R. Hanus, M. A. White, X. Shi, L. Chen, M. G. Kanatzidis, G. Jeffrey Snyder*, Mater. Today Phys., 2017, doi:10.1016/j.mtphys.2017.04.002
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49. Defect-Controlled Electronic Structure and Phase Stability in Thermoelectric Skutterudite CoSb3
G. Li, U. Aydemir, M. Wood, W. A. Goddard, P. Zhai, Q. Zhang*, G. J. Snyder*, Chem. Mater., 2017, doi:10.1021/acs.chemmater.7b00559
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48. Deformation Mechanisms in the High-Efficiency Thermoelectric Layered Zintl Compounds.
G. Li, U. Aydemir, M. Wood, Q. An, W. A. Goddard, P. Zhai, Q. Zhang*, G. J. Snyder*, J. Mater. Chem. A, 2017, doi:10.1039/c7ta02080e
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47. Ideal Strength and Deformation Mechanism in High-Efficiency Thermoelectric SnSe.
G. Li, U. Aydemir, M. Wood, W. A. Goddard, P. Zhai, Q. Zhang*, G. J. Snyder*, Chem. Mater., 2017, 29, 2382–2389.
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46. A computational assessment of the electronic, thermoelectric, and defect properties of bournonite
(CuPbSbS3) and related substitutions.
A. Faghaninia*, G. Yu, U. Aydemir, M. Wood, W. Chen, G.-M. Rignanese, G. J. Snyder, G. Hautier, and A. Jain*, Phys. Chem. Chem. Phys., 2017, 19, 6743-6756
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45. Achieving zT > 1 in inexpensive Zintl phase Ca9Zn4+xSb9 by phase boundary mapping.
S. Ohno, U. Aydemir, M. Amsler, J.-H. Pöhls, S. Chanakian, A. Zevalkink, M. A. White, S. K. Bux, C. Wolverton, and G. J. Snyder*, Adv. Funct. Mater., 2017, doi:10.1002/adfm.201606361
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44. High Temperature Electronic and Thermal Transport Properties of EuGa2-xInxSb2.
S. Chanakian, R. Weber, U. Aydemir*, A. Ormeci, J.-P. Fleurial, S. Bux, and G. J. Snyder, J. Electron. Mater., 2017, doi:10.1007/s11664-017-5423-y
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43. Structure and failure mechanism of the thermoelectric CoSb3/TiCoSb interface.
G. Li, S. Hao, U. Aydemir, M. Wood, W. A. Goddard, P. Zhai, Q. Zhang*, G. J. Snyder*, ACS Appl. Mater. Interfaces, 2016, 8, 31968-31977
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42. Enhanced ideal strength of thermoelectric half-Heusler TiNiSn by sub-structure engineering
G. Li, Q. An, U. Aydemir, W. A. Goddard, M. Wood, P. Zhai, Q. Zhang, G. J. Snyder*, J. Mater. Chem. A, 2016, 4, 14625-14636
41. Engineering half-Heusler thermoelectric materials using Zintl chemistry
W. G. Zeier, J. Schmitt, G. Hautier, U. Aydemir, Z. M. Gibbs, C. Felser, G. J. Snyder, Nature Reviews Materials, 2016, 1, 16032
40. A novel europium (III) nitridoborate Eu3[B3N6]: Synthesis, Crystal Structure, Magnetic Properties, and Raman Spectra
U. Aydemir, I. Kokal, Yu. Prots, T. Förster, J. Sichelschmidt, F. Schappacher, R. Pöttgen, A. Ormeci, M. Somer
J. Solid State Chem., 2016, 239, 75
39. Understanding thermoelectric properties from high-throughput calculations: trends, insights, and comparisons with experiment
W. Chen, J.-H Pöhls, G. Hautier, D. Broberg, S. Bajaj, U. Aydemir, Z. M. Gibbs, H. Zhu, M. Asta, G. J. Snyder, B. Meredig, M. A. White, K. Persson and A. Jain, J. Mater. Chem. C, 2016, Advance Article
38. p-Type Co Interstitial Defects in Thermoelectric Skutterudite CoSb3 Due to the Breakage of Sb4-Rings
G. Li, S. Bajaj, U. Aydemir, S. Hao, H. Xiao, W. A. Goddard, P. Zhai, Q. Zhang, and G. J. Snyder,
37. YCuTe2: a member of a new class of thermoelectric materials with CuTe4-based layered structure
U. Aydemir, J.-H. Pöhls, H. Zhu, G. Hautier, S. Bajaj, Z. M. Gibbs, W. Chen, G. Li, S. Ohno, D. Broberg, S. D. Kang, M. Asta, G. Ceder, M. A. White, K. Persson, A. Jain, and G. J. Snyder, J. Mater. Chem. A, 2016, 4, 2461
36. Apparent critical phenomena in the superionic phase transition of Cu2-xSe.
S. D. Kang, S. A. Danilkin, U. Aydemir, M. Avdeev, A. Studer, and G. J. Snyder, New J. Phys., 2016, 18, 013024
35. Enhanced thermoelectric properties of the Zintl phase BaGa2Sb2 via doping with Na or K
U. Aydemir, A. Zevalkink, A. Ormeci, S. Bux, and G. J. Snyder, J. Mater. Chem. A, 2016, 4, 1867
34. Inelastic Neutron Scattering Study of the Lattice Dynamics in the clathrate Compound BaGe5
C. Candolfi, U. Aydemir, M. M . Koza, M. Baitinger, F. Steglich, Yu. Grin, J. Phys.: Condens. Matter, 2015, 27, 485401
33. High temperature thermoelectric Properties of Zn-doped Eu5In2Sb6
S. Chenakian, U. Aydemir, A. Zevalkink, S. Bux, J. Fleurial, J. Snyder, J. Mater. Chem. C, 2015, 3, 10518-10524
32. Computational and experimental investigation of TmAgTe2 and XYZ2 compounds, a new group of
thermoelectric materials identified by first principles high throughput screening
H. Zhu, G. Hautier, U. Aydemir, Z. M. Gibbs, G. Li, S. Bajaj, J.-H. Poehls, D. Broberg, W. Chen, A. Jain, M. Asta, G. J. Snyder, K. Persson, and G. Ceder, J. Mater. Chem. C, 2015, 3, 10554-10565
31. Ca3[BN2]I3: The First Halide-Rich Alkaline Earth Nitridoborate with Isolated [BN2]3– Units
T. Ezgi Toros, M. Yahyaoglu, U. Aydemir, C. Drathen, L. Akselrud, Y. Prots, P. Höhn, M. Somer
Z. Anorg. Allg. Chem., 2015, 641, 2014–2019
30. Electronic Structure and Thermoelectric Properties of Pnictogen-Substituted ASn1:5Te1:5
(A = Co, Rh, Ir) Skutterudites
A. Zevalkink, K. Star, U. Aydemir, J-P. Fleurial, S. Bux, T. Vo, P. von Allmen, J. Appl. Phys., 2015, 118, 035107
29. Enhanced Thermoelectric Properties of Sr5In2Sb6 via Zn-doping
S. Chenakian, A. Zevalkink, U. Aydemir, S. Bux, J. Fleurial, J. Snyder, J. Mater. Chem. A, 2015, 3, 10289-10295
28. Electronic band structure and low-temperature transport properties of the type-I clathrate
Ba8Nix£yGe46-x-y
U. Aydemir, C. Candolfi, A. Ormeci, M. Baitinger, N. Oeschler, F. Steglich, Yu. Grin, Dalton Trans., 2015, 44, 7524-7537
27. Thermoelectric Properties of the Zintl Phases Yb5M2Sb6 (M = Al, Ga, In)
U. Aydemir, A. Zevalkink, A. Ormeci, H. Wang, S. Bux, J. Snyder, Dalton Trans., 2015,44, 6767-6774
26. Thermoelectric Enhancement in BaGa2Sb2 by Zn-Doping
U. Aydemir, A. Zevalkin, A. Ormeci, Z. M. Gibbs, S. Bux, and G. J. Snyder, Chem. Mat., 2015, 27, 1622
25. Thermoelectric properties and electronic structure of the Zintl phase Sr5In2Sb6 and the Ca5-xSrxIn2Sb6
solid solution
A. Zevalkink, S. Chenakian, U. Aydemir, A. Ormeci, G. Pomrehn, S. Bux, J. Fleurial, J. Snyder, J. Phys.: Cond. Matter, 2015, 27, 015801
24. BaGe6 and BaGe6-x: Incommensurately Ordered Vacancies as Electron Traps
L. Akselrud, A. Wosylus, R. Castillo, U. Aydemir, Yu. Prots, W. Schnelle, Yu. Grin, U. Schwarz, Inorg. Chem., 2014, 53, 12699
23. High Temperature Transport Properties of BaZn2Sn2
U. Aydemir, A. Zevalkink, S. Bux, G. J. Snyder, J. All. Comp., 2014, 622, 402
22. Thermoelectric properties of the Ca5Al2-xInxSb6 solid solution
A. Zevalkink, J. Swallow, S. Ohno, U. Aydemir, S. Bux, G. J. Snyder, Dalton Trans., 2014, 43, 15872
21. High temperature thermoelectric properties of the type-I clathrate Ba8Nix£yGe46-x-y
U. Aydemir, C. Candolfi, M. Baitinger, N. Oeschler, F. Steglich, Yu. Grin, J. Phys. Cond. Matter, 2014, 26, 485801
20. Synthesis, Crystal Structure and Magnetic Properties of Li0.44Eu3[B3N6]
I. Kokal, U. Aydemir, Yu. Prots, T. Förster, J. Sichelschmidt, M. Yahyaoglu, G. Auffermann, W. Schnelle, F. Schappacher, R. Pöttgen, M. Somer, J. Solid State Chem., 2014, 210, 96
19. Synthesis, Crystal Structure and Physical Properties of the Type-I Clathrate Ba8–δNix£ySi46–x–y
U. Aydemir, C. Candolfi, A. Ormeci, H. Borrmann, U. Burkhardt, Y. Oztan, N. Oeschler, M. Baitinger, F. Steglich, Yu. Grin, Inorg. Chem., 2012, 51, 4730
18. High temperature thermoelectric properties of the type-I clathrate Ba8AuxSi46−x
C. Candolfi, U. Aydemir, M. Baitinger, N. Oeschler, F. Steglich, Yu. Grin, J. Appl. Phys. 2012, 111, 043706
17. Low-temperature thermoelectric, galvanomagnetic, and thermodynamic properties of the type-I
clathrate Ba8AuxSi46−x
U. Aydemir C. Candolfi, A. Ormeci, Y. Oztan, M. Baitinger, N. Oeschler, F. Steglich, Yu. Grin, Phys. Rev. B, 2011, 84, 195137
16. Low-temperature magnetic, galvanomagnetic, and thermoelectric properties of the type-I clathrates
Ba8NixSi46−x
C. Candolfi, U. Aydemir, A. Ormeci, M. Baitinger, N. Oeschler, F. Steglich, Yu. Grin, Phys. Rev. B, 2011, 83, 205102
15. Multiband conduction in the type-I clathrate Ba8Ge43£3
C. Candolfi, A. Ormeci, U. Aydemir, M. Baitinger, N. Oeschler, F. Steglich, Yu. Grin, Phys. Rev. B, 2011, 84, 205118
14. Transport properties of the clathrate BaGe5
C. Candolfi, U. Aydemir, A. Ormeci, W. Carrillo-Cabrera, U. Burkhardt, M. Baitinger, N. Oeschler, F. Steglich, and Yu. Grin, J. Appl. Phys., 2011, 110, 043715
13. Vibrational Spectra and Quantum Chemical Calculations of the Pure and Mixed Cluster Anions
[SixGe4–x]4– and [GexSn4–x]4– (x = 0-4) in Compounds with Potassium and Cesium
A. Ormeci, U. Aydemir, M. Somer, Z. Anorg. Allg. Chem., 2011, 637, 907
12. Syntheses, Crystal Structures, Magnetic Properties, and Vibrational Spectra of Nitridoborate-Halide
Compounds Sr2[BN2]Br and Eu2[BN2]X (X = Br, I) with Isolated [BN2]3– Units
I. Kokal, U. Aydemir, Yu. Prots, W. Schnelle, L. Akselrud, P. Höhn, M. Somer, Z. Kristallogr., 2011, 226, 633
11. BaGe5: A New Type of Intermetallic Clathrate
U. Aydemir, L. Akselrud, W. Carrillo-Cabrera, C. Candolfi, N. Oeschler, M. Baitinger, F. Steglich, Yu. Grin,
J. Am. Chem. Soc., 2010, 132, 10984
10. Crystal structure and transport properties of Ba8Ge43£3
U. Aydemir, C. Candolfi, H. Borrmann, M. Baitinger, A. Ormeci, W. Carrillo-Cabrera, C. Chubilleau, B. Lenoir, A. Dauscher, N. Oeschler, F. Steglich, Yu. Grin, Dalton Trans., 2010, 39, 1078
9. Thermoelectric Properties of the Clathrate I Ba8Ge43£3
C. Candolfi, U. Aydemir, M. Baitinger, N. Oeschler, F. Steglich and Yu. Grin, J. Electron. Mater., 2010, 39, 2039-2042
8. Atomic ordering and thermoelectric properties of the n-type clathrate Ba8Ni3.5Ge42.1£0.4
L. T. K. Nguyen, U. Aydemir, M. Baitinger, E. Bauer, H. Borrmann, U. Burkhardt, J. Custers, A. Haghighirad, R. Hofler, K. D. Luther, F. Ritter, W. Assmus, Yu. Grin, S. Paschen, Dalton Trans., 2010, 39, 1071
7. Physical Properties of Single-Crystalline Ba8Ni3.5Ge42.1£0.4
L. T. K. Nguyen, U. Aydemir, M. Baitinger, J. Custers, A. Haghighirad, R. Hofler, K. D. Luther, F. Ritter, Yu. Grin, W. Assmus and S. Paschen, J. Electron. Mater., 2010, 39, 1386-1389
6. α- and β-Na2[BH4][NH2]: Two modifications of a complex hydride in the system NaNH2–NaBH4;
syntheses, crystal structures, thermal analyses, mass and vibrational spectra
M. Somer, S. Acar, C. Koz, I. Kokal, P. Höhn, R. Cardoso-Gil, U. Aydemir, L. Akselrud, J. Alloys Compd., 2010, 491, 98
5. The Metallic Zintl Phase Ba3Si4 – Synthesis, Crystal Structure, Chemical Bonding, and Physical
Properties
U. Aydemir, A. Ormeci, H. Borrmann, B. Böhme, F. Zurcher, B. Uslu, T. Goebel, W. Schnelle, P. Simon, W. Carrillo-Cabrera, F. Haarmann, M. Baitinger, R. Nesper, H. G. von Schnering, Yu. Grin, Z. Anorg. Allg. Chem., 2008, 634, 1651
4. Cs4Ge9·en: A Novel Compound with [Ge9]4– Clusters – Synthesis, Crystal Structure and Vibrational
Spectra
W. Carrillo-Cabrera, U. Aydemir, M. Somer, A. Kircali, T. F. Fässler, S. D. Hoffmann, Z. Anorg. Allg. Chem., 2007, 633, 1575
3. Synthesis of the intermetallic clathrate Na2Ba6Si46 by oxidation of Na2BaSi4 with HCl
B. Böhme, U. Aydemir, A. Ormeci, W. Schnelle, M. Baitinger, Yu. Grin, Sci. Technol. Adv. Mat., 2007, 8, 410
2. Crystal structure of tetrapotassium diarsenidozincate, K4ZnAs2
Y. Prots, U. Aydemir, S. S. Ozturk, M. Somer, Z Kristallogr. NCS, 2007, 222, 163
1. Vibrational spectra of compounds with the cluster anions [E4]4- : M4E4 (M = K, Rb, Cs; E = Ge, Sn) and
beta-Na4Sn4
M. Somer, U. Aydemir, M. Baitinger, H. G. von Schnering, Z. Anorg. Allg. Chem., 2006, 632, 1281
Non-Peer-Reviewed Articles
3. Themed issue on the chemistry of thermoelectric materials
U. Aydemir and G. Jeffrey Snyder, J. Mater. Chem. C, 2015, 3, 10332-10335 (Editorial)
2. Ball milling of the clathrate-I Ba8Ni4Ge42
S. Scudino, U. Aydemir, M. Sakaliyska, M. Baitinger, K. B. Surreddi, Yu. Grin and J. Eckert, in Advanced Processing of Novel Functional Materials - APNFM2008, 23-25 January 2008, Dresden, Germany (Pub. No: 260939)
1. Characterization of Ge-based clathrates oxidized in air by means of TEM and SEM
C. Hébert, B. Bartova, M. Cantoni, U. Aydemir and M. Baitinger, in EMC 2008 14th European Microscopy Congress 1–5 September 2008, Aachen, Germany, eds. S. Richter and A. Schwedt, Springer Berlin Heidelberg, 2008, pp. 531-532
Scientific Reports
2. New Developments in Clathrate Research
M. Baitinger, L. Akselrud, U. Aydemir, et al., Scientific Report 2009-2010, Max Planck Institute for Chemical Physics of Solids, Dresden, Germany
1. Intermetallic Clathrates Revisited
M. Baitinger, U. Aydemir, B. Böhme, et al., Scientific Report 2006-2008, Max Planck Institute for Chemical Physics of Solids, Dresden, Germany
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