Wednesday

Wednesday, September 12

registration and coffee will be available starting at 7.30

8.15 - 10.00 Breakout Session A: Crystals and Epitaxy

Chair: Prof. Wada

8.15 Epitaxial growth of single Cu(In,Ga)Se2 on GaAs (001) substrates by MBE

Jiro Nishinaga, Takehiko Nagai, Takeyoshi Sugaya, Hajime Shibata, and Shigeru Niki

Research Center for Photovoltaics, AIST

8.30 The effect of Ga content on the electronic structure and lattice dynamic of Cu(In,Ga)Se2 single crystals

T.V. Kuznetsova (1,2), E. Pogue (3), V.I. Grebennikov (1,2), A.V. Lukoyanov (1,2), D.I. Radzivonchik (1), Yu.S. Ponosov (1), A. Rockett (4), R.W. Martin (5), M.V. Yakushev (1,2,5)

(1) M.N. Miheev Institute of Metal Physics, Ural Branch of the Russian Academy of Sciences, Ekaterinburg, Russia; (2) Ural Federal University, Ekaterinburg, Russia; (3) Materials Science and Engineering, University of Illinois, USA; (4) Department of Metallurgical and Materials Engineering at the Colorado School of Mines, USA; (5) Department of Physics, SUPA, University of Strathclyde, Glasgow, UK

8.45 Characterization of Cu2ZnSnS4 bulk crystals grown by spark plasma sintering method

Koichiro Oishi (1), Akiko Takeuchi (1), Yutaka Hashidate (1), Kotaro Wakui (1), Naohiro Ishizuki (1), Masaru Tsuboi (1), Naritoshi Aoyagi (1), Shunji Ozaki (2), Yosuke Shimamune (1), Makoto Yamazaki (3), Hironori Katagiri (1)

(1) National Institute of Technology, Nagaoka College, (2) Gunma University, (3) National Institute of Technology, Gunma College

9.00 Growth and characterization of CuSbS2 bulk crystals

Manato Takeuchi(1), Akira Nagaoka(2), Shigeru Ikeda(3), Kenji Yoshino(1)

(1) University of Miyazaki, (2) Kyoto University, (3) Konan University

9.15 Ternary Compounds of Mn-Bi-Te family: electronic structure, optical properties and prospective application

(invited) Nazim Mamedov (1), Zakir Jahangirli (1), Imamaddin R. Amiraslanov (1), Ziya S. Aliyev (1,2), Nadir Abdullayev (1), Alexander Shikin (3), Evgueni V. Chulkov (3, 4, 5), Vladimir Zverev (6), Samir Mammadov (7), Elvin Alizade (1)

(1) Institute of Physics, National Academy of Sciences, AZ1143 Baku, Azerbaijan (2) Azerbaijan State Oil and Industry University, AZ1010 Baku, Azerbaijan (3) Saint Petersburg State University, Saint Petersburg, 198504 Russia (4 Departamento de Física de Materiales, Facultad de Ciencias Químicas, UPV/EHU, Apdo. 1072, 20080 San Sebastián, Spain (5) Centro de Física de Materiales CFM-Materials Physics Center MPC, Centro Mixto CSIC-UPV/EHU, 20080 San Sebastián, Spain (6) Institute of Solid State Physics, Chernogolovka, 142432 Russia (7) Chemnitz Technical University, 09126 Chemnitz, Germany

9.45 Raman scattering of light in crystals Tl 1-x Ag x GaSe 2 (0 ≤ X ≤ 0,025)

A. Kh. Matiyev1, A.V. Yanarsaev2

1 The Ingush State University, 386001, Magas, Russia, 2 Grozny State Oil Technical University named after M. D. Millionshikov, Grozny, Russia

8.15 - 10.00 Breakout Session B: Metastable Materials

Chair: Dr. Siol

8.15 Understanding kinetic factors in the metathetical preparation of metastable yttrium manganates

Paul K. Todd (1), James R. Neilson (1)

(1) Colorado State University

8.30 Mechanochemical synthesis of metastable spinel-type Zn2GeO4 at near-ambient conditions

Joachim Breternitz (1), Daniel Fritsch (1,2), Susan Schorr (1,3)

(1) Helmholtz-Zentrum Berlin für Materialien und Energie, Structure and Dynamics of Energy Materials, Hahn-Meitner Platz 1, 14109 Berlin, Germany, (2) University of Bath, Department of Chemistry, Claverton Down, Bath BA2 7AY, UK, (3) Freie Universität Berlin, Department Geosciences, Malteserstraße 74-100, 12249 Berlin, Germany

8.45 Predictive Synthesis and Characterization of Oxide Films with Metastable Structures

(invited) Gregory S. Rohrer (1), Paul A. Salvador (1)

(1) Carnegie Mellon University

9.15 Predicting the properties of off-stoichiometric, oxygen containing, and disordered ternary nitrides

Jie Pan, Jacob Cordell, Andriy Zakutayev, and Stephan Lany

National Renewable Energy Laboratory, Golden, CO 80401

9.30 Redox mediated stabilization in wurtzite-based ternary nitrides.

Elisabetta Arca (1), Stephan Lany (1), John D. Perkins (1), Christopher Bartel (2) John Mangum (3), Wenhao Sun (4), Aaron Holder (1,2) Gerbrand Ceder (4,5), Brian Gorman (3), Glenn Teeter (1), William Tumas (1), Adele Tamboli (1), and Andriy Zakutayev (1)

1) National Renewable Energy Laboratory, Golden, Colorado 80401, United States 2) Department of Chemical and Biological Engineering, University of Colorado Boulder, Boulder, Colorado 80309, United States 3) Department of Metallurgical and Materials Engineering, Colorado School of Mines, Golden, Colorado 80401, United States 4) Materials Science Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States 5)Department of Materials Science and Engineering, University of California Berkeley, Berkeley, California 94720, United States

Kesterite or Stannite? Structural and optoelectronic properties of (Ag1-xCux)2ZnSnSe4

G. Gurieva1*, Jose Marquez Prieto1, A. Franz1 Charles Hages1, Sergiu Levcenko1, Thomas Unold1 and S. Schorr1,2

1 Helmholtz Zentrum Berlin für Materialien und Energie GmbH, Hahn-Meitner-Platz 1, D-14109 Berlin, Germany 2 Free University Berlin, Institute of Geological Sciences, Malteserstr. 74-100, Berlin, Germany

8.15 - 10.00 Breakout Session C: Oxides for Energy

Chair: Dr. Gregoire

8.15 Protonic Ceramic Electrochemical Cells for Power Generation and Renewable Fuels Production

(invited) Ryan O’Hayre (1), Chuancheng Duan (1), Liangzhu Zhu (1), Chris Cadigan (1), Jake Huang (1), Meagan Papac (1), Andriy Zakutayev (2), Huayang Zhu (3), Canan Karakya (3), Rob Braun (3), Sandrine Ricote (3), Bob Kee (3), Neal Sullivan (3).

(1) Metallurgical and Materials Engineering, Colorado School of Mines; (2) National Renewable Energy Laboratory; (3) Mechanical Engineering, Colorado School of Mines

8.45 High-Throughput Study of Conduction Mechanisms in Triple Conducting Oxides

Meagan Papac (1,2), Andriy Zakutayev (1,2), Ryan O'Hayre (1), Elisabetta Arca (2)

(1) Colorado School of Mines, (2) National Renewable Energy Laboratory

9.00 Rapid Kinetic Profiling of Bulk Diffusion Barriers for Solar Thermal Water Splitting Materials

Ryan Trottier (1), Samantha Millican (1), Zachary Bare (1), Charles Musgrave (1)

CU Boulder

9.15 Computational Discovery and Experimental Demonstration of Materials for Solar Thermochemical Hydrogen Production

Samantha L. Millican (1), Iryna Androshchuk (1), Alan W. Weimer (1), Charles B. Musgrave (1)

(1) Department of Chemical and Biological Engineering, University of Colorado Boulder

9.30 A'A"TeBiO6: A new family of inorganic bismuth-based oxide perovskites for photovoltaic applications

Arashdeep Singh Thind (1), Shalinee Kavadiya (1), Sung-Beom Cho (1), Liang-yi Lin (1), Ghanshyam Pilania (2), Pratim Biswas (1), Rohan Mishra (1)

(1) Washington University in St. Louis, (2) Los Alamos National Laboratory

9.45 Zn1-xMgxO Thin Films for Contact Application in CuGa3Se5 based Photoelectrochemical Devices

Imran S. Khan (1), Christopher P. Muzzillo (1), Kai Zhu (1), Nicolas Gaillard (2), Andriy Zakutayev (1)

(1) National Renewable Energy Laboratory, Golden, CO, USA, (2) Hawaii Natural Energy Institute, University of Hawaii, Honolulu

10.00 - 10.30 Morning Break

coffee and snacks will be provided

10.30 – 12.00 General Session: Metastability

Chair: Dr. Lany

10.30 The thermodynamic scale of inorganic crystalline metastability

Wenhao Sun, Gerbrand Ceder

Lawrence Berkeley National Laboratory

10.45 Toward a paradigm of materials design: kinetic control in solid state chemistry

(invited) James Neilson

Colorado State University

11.15 Design of novel metastable semiconductor alloys

(invited) Sebastian Siol(1)

(1) EMPA, Swiss Federal Laboratories for Science and Technology, CH-8600 Dübendorf, Switzerland

11.45 Kinetic simulations of defect chemistry in graded II-VI absorbers

Igor Sankin(1), Dmitry Krasikov(1), Daniel Brinkman(2)

(1) First Solar, Inc., (2) Department of Mathematics and Statistics, San José State University

12.15 - 13.30 Lunch Break

13.30 - 14.30 Panel Discussion

Topic: “Metastability and other emerging trends in ternary and multinary semiconductors”

Panelists:

Shogo Ishizuka, National Institute of Advanced Industrial Science and Technology, Japan
Susan Schorr, Helmholtz-Zentrum Berlin, Germany
Roland Scheer, Martin-Luther- Universität Halle, Germany
Richard Hennig, University of Florida, USA
Eric Toberer, Colorado School of Mines, USA

Tentative: ICTMC22 location announcement

15.00 - 18.00 Informal Excursions / Free Time

More information about informal excursions will be provided at the conference

Possible options: Chautauqua Hikes (easy or difficult), Campus Tour, Brewery Tour

18.30 - 21.00 Conference Dinner and Show

Special Location: Fiske Planetarium

18.30-20.00 Dinner and Drinks served

20.00-21.00 Planetarium Show