By Date

2021

161. Double-Site Substitution of Ce into (Ba, Sr) MnO3 Perovskites for Solar Thermochemical Hydrogen Production.

Heo, S.J., Sanders, M., O’Hayre, R. and Zakutayev, A.,

ACS Energy Letters, 6,3037 (2021)

160. Combinatorial screening of crystal structure in Ba-Sr-Mn-Ce perovskite oxides with ABO3 stoichiometry

Heo S. J., and Zakutayev A.,

J. Mater. Chem. A, (2021) https://doi.org/10.1039/D1TA03791A

158. Computational Fermi level engineering and doping-type conversion of Mg:Ga2O3 via three-step synthesis process

Goyal A.,, Zakutayev A., Stevanovic V., and Lany S.

Journal of Applied Physics 129, 245704 (2021)

157. Performance and reliability of β-Ga2O3 Schottky barrier diodes at high temperature.

Heinselman, K., Walker, P., Norman, A., Parilla, P., Ginley, D., & Zakutayev, A.

Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films, 39, 040402 (2021)

156. Metal chalcogenides for neuromorphic computing: emerging materials and mechanisms.

Bauers, S.R., Tellekamp, M.B., Roberts, D.M., Hammett, B., Lany, S., Ferguson, A.J., Zakutayev, A. and Nanayakkara, S.U.,

Nanotechnology, 32, 372001 (2021)

155. An Open Combinatorial Diffraction Dataset Including Consensus Human and Machine Learning Labels with Quantified Uncertainty for Training New Machine Learning Models.

Hattrick-Simpers, J.R., DeCost, B., Kusne, A.G., Joress, H., Wong-Ng, W., Kaiser, D.L., Zakutayev, A., Phillips, C., Sun, S., Thapa, J., Yu, H., Takeuchi I., Buonassisi, T.

Integrating Materials and Manufacturing Innovation, 10, 311 (2021)

154. Instrument for spatially resolved, temperature-dependent electrochemical impedance spectroscopy of thin films under locally controlled atmosphere.

Papac, M.C., Talley, K.R., O’Hayre, R. and Zakutayev, A.,.

Review of Scientific Instruments, 92 065105 (2021)

153. Synthesis of Zn2NbN3 ternary nitride semiconductor with wurtzite-derived crystal structure.

Zakutayev, A.,.

Journal of Physics: Condensed Matter. 33 354003 (2021)

152. Influence of Protection Layers on Thermal Stability of Nitride Thin Films.

Zakutayev, A. and Perkins, C.L.,.

physica status solidi RRL (2021) https://doi.org/10.1002/pssr.202100178

151. Reduced coercive field in epitaxial thin film of ferroelectric wurtzite Al0.7Sc0.3N.

Yazawa, K., Drury, D., Zakutayev, A. and Brennecka, G.L.,

Applied Physics Letters, 118, 162903 (2021)

150. Understanding Reproducibility of SputterDeposited Metastable Ferroelectric Wurtzite Al0.6Sc0.4N Films Using In Situ Optical Emission Spectrometry.

Drury, D., Yazawa, K., Mis, A., Talley, K., Zakutayev, A. and Brennecka, G.L.,

physica status solidi RRL 15, 2100043 (2021)

149. Emerging inorganic solar cell efficiency tables (version 2).

Zakutayev, A., Major, J.D., Hao, X., Walsh, A., Tang, J., Todorov, T.K., Wong, L.H. and Saucedo, E.,

Journal of Physics: Energy, 3, 032003 (2021)

148. SnS Homojunction Solar Cell with nType Single Crystal and pType Thin Film.

Kawanishi, S., Suzuki, I., Bauers, S.R., Zakutayev, A., Shibata, H., Yanagi, H. and Omata, T.,

Solar RRL, 5, 2000708 (2021)

147. A Review on Lithium Phosphorus Oxynitride

LaCoste, J.D., Zakutayev, A. and Fei, L.

The Journal of Physical Chemistry C 125, 3651 (2021)

146. Thin film growth effects on electrical conductivity in entropy stabilized oxides.

Jacobson, V., Diercks, D., To, B., Zakutayev, A. and Brennecka, G.

Journal of the European Ceramic Society, 41 2617 (2021)

145. Phase formation of manganese oxide thin films using pulsed laser deposition.

Garten, L.M., Selvarasu, P., Perkins, J., Ginley, D. and Zakutayev, A.,.

Materials Advances 2 303 (2021)

144. MgxZn1-xO contact to CuGa3Se5 absorber for photovoltaic and photoelectrochemical devices

Khan, I., Muzzillo, C.P., Perkins, C.L., Norman, A., Young, J., Gaillard, N. and Zakutayev, A., Journal of Physics: Energy 3 024001 (2021)

143. Triple ionic–electronic conducting oxides for next-generation electrochemical devices.

Papac, M., Stevanović, V., Zakutayev, A. and O’Hayre, R.

Nature Materials 20 310 (2021)

2020

142. Improving Interface Stability of Si Anodes by Mg Coating in Li-Ion Batteries.

Li, Z., Stetson, C., Teeter, G., Norman, A., Ha, Y., Tremolet de Villers, B.J., Huey, Z., Walker, P., Han, S.D., DeCaluwe, S.C. and Jiang, C.S.,

ACS Applied Energy Materials, 3 11534 (2020)

141. Three-Dimensional Mapping of Resistivity and Microstructure of Composite Electrodes for Lithium-Ion Batteries

Stetson, C., Huey, Z., Downard, A., Li, Z., To, B., Zakutayev, A., Jiang, C.S., Al-Jassim, M.M., Finegan, D.P., Han, S.D. and DeCaluwe, S.C..

Nano Letters, 20 8081 (2020)

140. Synthesis of tunable SnS-TaS2 nanoscale superlattices

Roberts, D. M., Bardgett, D., Gorman, B. P., Perkins, J. D., Zakutayev, A., & Bauers, S. R.

Nano Letters (2020) 10.1021/acs.nanolett.0c02115

139. Growth and Characterization of Homoepitaxial ß-Ga2O3 Layers

Tellekamp, M., Heinselman, K., Harvey, S., Khan, I., Zakutayev, A.

J. Phys. D: Appl. Phys. 53 484002 (2020)

138. Investigating the Effects of Lithium Phosphorous Oxynitride Coating on Blended Solid Polymer Electrolytes

LaCoste, J., Li, Z., Xu, Y., He, Z., Matherne, D., Zakutayev, A., Fei, L.

ACS Applied Materials & Interfaces, 12, 40749 (2020)

137. Transient evolution of built-in field at junctions of GaAs photoelectrodes

Chen, X., Pekarek, R. T., Gu, J., Zakutayev, A., Hurst, K. E., Neale, N. R., Yang Y, Beard, M. C.

ACS Applied Materials & Interfaces 12 40339 (2020)

136. Tailoring SnO2,(Mg, Zn) O, and Ga:(Mg, Zn) O electro-optical properties and stability for solar cells

Good, B., Ablekim, T., Khan, I., Reese, M., Zakutayev, A., Metzger, W.

Journal of Physics D: Applied Physics (2020) DOI: 10.1088/1361-6463/abb901

135. Sputtered p-type CuxZn1-xS back contact to CdTe solar cells

Woods-Robinson, R., Ablekim, T., Norman, A.G., Johnston, S.W., Persson, K.A., Reese, M.O. and Metzger, W.K., Zakutayev, A.,

ACS Applied Energy Materials 3 5427 (2020)

134. Combinatorial synthesis of magnesium tin nitride semiconductors

Greenaway, A.L., Loutris, A., Heinselman, K.N., Melamed, C.L., Schnepf, R.R., Tellekamp, M.B., Woods-Robinson, R., Sherbondy, R., Bardgett, D.J., Bauers, S.R. and Zakutayev, A., Christensen S. T., Lany. S., Tamboli A. C.

Journal of the American Chemical Society 142 8421 (2020)

133. Wide Band Gap Chalcogenide Semiconductors

Woods-Robinson R., Han Y., Zhang H., Ablekim T. Khan I., Persson K. A., Zakutayev A.

Chemical Reviews 120 4007 (2020)

132. Influence of hydrogen and oxygen on the structure and properties of sputtered magnesium zirconium oxynitride thin films

Kim, J., Bauers, S.R., Khan, I.S., Perkins, J.D., Park, B.I., Talley, K.R., Kim, D., Zakutayev, A. and Shin, B.,

Journal of Materials Chemistry A 8 9364 (2020)

131. Perfect short-range ordered alloy with line-compound-like properties in the ZnSnN2:ZnO system

Pan, J., Cordell, J., Tucker, G., Zakutayev, A., Tamboli, A., and Lany S.

npj Computational Material 6 63 (2020)

130. Epitaxial growth of rock salt MgZrN2 semiconductors on MgO and GaN

Bauers, S.R., Mangum, J., Harvey, S.P., Perkins, J.D., Gorman, B. and Zakutayev, A.

Applied Physics Letters, 116 102102 (2020)

129. Review of ZnSnN2 semiconductor material

Khan I., Heinselman K. , Zakutayev A.

J. Phys. Energy 2 032007 (2020)

128. Stable magnesium zinc oxide by reactive Co-Sputtering for CdTe-based solar cells

Samoilenko Y., Yeung G., Munshi A.H., Abbas A., Reich C.L., Walker M., Reese M.O., Zakutayev A., Walls J.M., Sampath W.S., Wolden C.A.

Solar Energy Materials and Solar Cells 210 110521 (2020)

127. X-ray photoelectron spectroscopy and rotating disk electrode measurements of smooth sputtered Fe-N-C films

Xu, Y., Dzara, M.J., Kabir, S., Pylypenko, S., Neyerlin, K. and Zakutayev, A.,

Applied Surface Science, 515 146012. (2020)

126. A review of Sb2Se3 photovoltaic absorber materials and thin-film solar cells

Mavlonov A., Razykov T., Raziq F., Gan J., Chantana J., Kawano Y., Nishimura T., Wei H., Zakutayev A., Minemoto T., Zu X

Solar Energy 201 227 (2020)

125. Combined Spatially Resolved Characterization of Antireflection and Antisoiling Coatings for PV Module Glass

Moffitt, S.L., Riley, C., Ellis, B.H., Fleming, R.A., Thompson, C.S., Burton, P.D., Gordon, M.E., Zakutayev, A. and Schelhas, L.T.,

ACS Combinatorial Science, 22 197 (2020)

124. Templated Growth of Metastable Polymorphs on Amorphous Substrates with Seed Layers

Han, Y., Trottier, R., Siol, S., Matthews, B., Young, M., Musgrave, C.B., Lany, S., Tate, J., Zhang, Q., Holder, A.M. and Zakutayev, A.,

Physical Review Applied 13 014012 (2020)

123 Wurtzite materials in alloys of rock salt compounds

Han, Y., Millican, S.L., Liu, J., Bauers, S.R., Siol, S., Lany, S., Al-Jassim, M., Musgrave, C.B., Holder, A.M. and Zakutayev, A.,

Journal of Materials Research 35 972 (2020)

122 High-throughput fabrication and semi-automated characterization of oxide thin film transistors

Han, Y., Bauers, S., Zhang, Q., Zakutayev, A.

Chinese Physics B 29 018502 (2020)

121. Probing the Evolution of Surface Chemistry at the Silicon-Electrolyte Interphase via In-situ Surface-Enhanced Raman Spectroscopy

Ha, Y., Tremolet de Villers, B.J., Li, Z., Xu, Y., Stradins, P., Zakutayev, A., Burrell, A.K. and Han, S.D.,

The Journal of Physical Chemistry Letters 11 286 (2020).

2019

120. Thin film synthesis of semiconductors in the Mg-Sb-N materials system

Heinselman, K. N., Lady, S., Perkins, J. D., Talley, K. R., & Zakutayev, A.

Chem. Mater. 31, 8717 (2019).

119. Review of high-throughput approaches to search for piezoelectric nitrides

Talley, K. R., Sherbondy, R., Zakutayev, A., & Brennecka, G. L.

Journal of Vacuum Science & Technology A 37, 060803 (2019)

118. Intrinsic Properties of Individual Inorganic Silicon-Electrolyte Interphase Constituents

Sang-Don Han, Kevin N. Wood, Caleb Stetson, Andrew G. Norman, Michael T. Brumbach, Jaclyn Coyle, Yun Xu, Steven P. Harvey, Glenn Teeter, Andriy Zakutayev and Anthony K. Burrell

ACS Appl. Mater. Interfaces 31 8717 (2019)

117. A computational survey of semiconductors for power electronics.

Gorai, P., McKinney, R. W., Haegel, N. M., Zakutayev, A., & Stevanovic, V.

Energy & Environmental Science 12, 3338 (2019)

116. Combinatorial Tuning of Structural and Optoelectronic Properties in CuxZn1− xS.

Woods-Robinson, R., Han, Y., Mangum, J. S., Melamed, C. L., Gorman, B. P., Mehta, A., Persson, K. A. & Zakutayev, A.

Matter 1 862 (2019)

115. Electron scattering mechanisms in polycrystalline sputtered zinc tin oxynitride thin films.

Hamilton, D. C., Arca, E., Pan, J., Siol, S., Young, M., Lany, S., & Zakutayev, A.

Journal of Applied Physics, 126 035701 (2019).

114. Amorphous sulfide heterostructure precursors prepared by radio frequency sputtering

Roberts, D. M., Perkins, J. D., Norman, A. G., Stoldt, C. R., Zakutayev, A., & Bauers, S. R.

Journal of Vacuum Science & Technology B, 37 051201 (2019)

113. Emerging inorganic solar cell efficiency tables (Version 1)

Wong, L. H., Zakutayev, A., Major, J. D., Hao, X., Walsh, A., Todorov, T. K., & Saucedo, E.

Journal of Physics: Energy 1 032001 (2019)

112. Synthesis of Lanthanum Tungsten Oxynitride Perovskite Thin Films

Talley, K.R., Mangum, J., Perkins, C.L., Woods‐Robinson, R., Mehta, A., Gorman, B.P., Brennecka, G.L. and Zakutayev, A.,

Advanced Electronic Materials 5 1900214 (2019)

111. Chemistry of Electrolyte Reduction on Lithium Silicide.

Xu, Y., Wood, K., Coyle, J., Engtrakul, C., Teeter, G., Stoldt, C.R., Burrell, A. and Zakutayev, A.,

The Journal of Physical Chemistry C 123, 13219 (2019)

110. Opto-electronic properties of Co-Zn-Ni-O films deposited by RF-sputtering at ambient-temperature.

Ford, J.C., Zakutayev, A., Ndione, P.F., Sigdel, A.K., Widjonarko, N.E., Parilla, P.A., Van Zeghbroeck, B., Berry, J.J., Ginley, D.S. and Perkins, J.D.,

Journal of Alloys and Compounds 801, 409 (2019)

109. Ternary Nitride Semiconductors in the Rocksalt Crystal Structure

Bauers SR, Holder A, Sun W, Melamed CL, Woods-Robinson R, Mangum J, Perkins J, Tumas W, Gorman B, Tamboli A, Ceder G., Lany S., Zakutayev, A.

Proceedings of the National Academy of Sciences 116 14829 (2019)

108. A Map of the Inorganic Ternary Metal Nitrides

Sun, W., Bartel, C., Arca, E., Bauers, S., Matthews, B., Orvañanos, B., Chen, B.R., Toney, M.F., Schelhas, L.T., Tumas, W. , Tate, J., Zakutayev A., Lany S., Holder A., Ceder. G

Nature Materials 18 732 (2019)

107. COMBIgor: data analysis package for combinatorial materials science

Talley, K.R., Bauers, S.R., Melamed, C.L., Papac, M.C., Heinselman, K., Khan, I., Roberts, D.M., Jacobson, V., Mis, A., Brennecka, G.L., Perkins, J.D., Zakutayev, A.

ACS Combinatorial Science 21, 537 (2019)

106. How Much Will Gallium Oxide Power Electronics Cost?

Reese, S. B., Remo, T., Green, J., & Zakutayev, A.

Joule 3, 903 (2019)

105. Modeling and Analysis of Gallium Oxide Vertical Transistors.

Kotecha, R., Metzger, W., Mather, B., Narumanchi, S., & Zakutayev, A.

ECS Journal of Solid State Science and Technology, 8, Q3202 (2019)

104. Zn2SbN3: Growth and characterization of a metastable photoactive semiconductor

Arca, E., Perkins, J. D., Lany, S., Mis, A., Chen, B.-R., Dippo, P., Partridge, J. L., Sun, W., Holder, A., Tamboli, A. C., Toney, M. F., Schelhas, L. T., Ceder, G., Tumas, W., Teeter, G., & Zakutayev, A.

Materials Horizons 6 1669 (2019)

103. Composition, structure, and semiconducting properties of MgxZr2−xN2 thin films.

Bauers, S. R., Hamann, D. M., Patterson, A., Perkins, J., Talley, K. R., & Zakutayev, A.

Japanese Journal of Applied Physics 58 SC1015 (2019)

102. High-Throughput Experimental Study of Wurtzite Mn1–xZnxO Alloys for Water Splitting Applications

Paul F. Ndione, Erin L. Ratcliff, Suhash R. Dey, Emily L. Warren, Haowei Peng, Aaron M. Holder, Stephan Lany, Brian P. Gorman, Mowafak M. Al-Jassim, Todd G. Deutsch, Andriy Zakutayev, and David S. Ginley

ACS Omega 4 , 7436 (2019)

101. An Inter-Laboratory Study of Zn-Sn-Ti-O Thin Films using High-throughput Experimental Methods.

Hattrick-Simpers, J., Zakutayev, A., Barron, S.C., Trautt, Z.T., Nguyen, N., Choudhary, K., DeCost, B., Phillips, C., Kusne, A.G., Yi, F. and Mehta, A., Takeuchi, I., Perkins, J.D., Green M. L.

ACS Combinatorial Science 21, 530 (2019)

100. Interplay between composition, electronic structure, disorder, and doping due to dual sublattice mixing in nonequilibrium synthesis of ZnSnN2: O.

Pan, J., Cordell, J., Tucker, G. J., Tamboli, A. C., Zakutayev, A., & Lany, S.

Advanced Materials, 31, 1807406 (2019).

2018

99. Bi-containing n-FeWO4 Thin Films Provide the Largest Photovoltage and Highest Stability for a sub-2 eV Band Gap Photoanode

Zhou, L., Shinde, A., Suram, S., Stein, H., Bauers, S., Zakutayev, A., DuChene, J.S., Liu, G., Peterson, E., Neaton, J.B. and Gregoire, J.M.

ACS Energy Letters 3, 2769 (2018)

98. Mechanical Properties and Chemical Reactivity of LixSiOy Thin Films

Xu, Y., Stetson, C., Wood, K., Sivonxay, E., Jiang, C.S., Teeter, G., Pylypenko, S., Han, S.D., Persson, K., Burrell, A.K. and Zakutayev, A.

ACS applied materials & interfaces 10, 44 (2018)

97. The 2019 Materials by Design Roadmap

Alberi K., Buongiorno Nardelli M., Zakutayev A. et al

J. Phys. D: Appl. Phys. 52, 013001 (2018)

96. Zinc-Stabilized Manganese Telluride with Wurtzite Crystal Structure

Han, Y., Holder, A.M., Siol, S., Lany, S., Zhang, Q. and Zakutayev, A.

The Journal of Physical Chemistry C, 122, 18769 (2018)

95. Characterization of elastic modulus across the (Al1-xScx) N system using DFT and substrate-effect-corrected nanoindentation

Wu, D., Chen, Y., Manna, S., Talley, K., Zakutayev, A., Brennecka, G., Ciobanu, C.V., Constantine, P. and Packard, C.E.,

IEEE transactions on ultrasonics, ferroelectrics, and frequency control 65, 2167 (2018)

94. Exciton photoluminescence and benign defect complex formation in zinc tin nitride.

Fioretti, A.N., Pan, J., Ortiz, B.R., Melamed, C.L., Dippo, P.C., Schelhas, L.T., Perkins, J.D., Kuciauskas, D., Lany, S., Zakutayev, A. Toberer, E.S., Tamboli, A.C.

Materials Horizons 5, 823 (2018)

93. Research Update: Emerging chalcostibite absorbers for thin-film solar cells.

de Souza Lucas, F.W. and Zakutayev, A.

APL Materials, 6 084501 (2018)

92. Implications of heterostructural alloying for enhanced piezoelectric performance of (Al, Sc) N

Talley, K.R., Millican, S.L., Mangum, J., Siol, S., Musgrave, C.B., Gorman, B., Holder, A.M., Zakutayev, A. and Brennecka, G.L., .

Physical Review Materials, 2 063802 (2018)

91. Band gap temperature-dependence and exciton-like state in copper antimony sulphide, CuSbS2.

Birkett, M., Savory, C.N., Rajpalke, M.K., Linhart, W.M., Whittles, T.J., Gibbon, J.T., Welch, A.W., Mitrovic, I.Z., Zakutayev, A., Scanlon, D.O. and Veal, T.D..

APL Materials, 6, 084904 (2018)

90. Combinatorial nitrogen gradients in sputtered thin films.

Han, Y., Matthews, B.E., Roberts, D.M., Talley, K., Bauers, S., Perkins, C.L., Zhang, Q. and Zakutayev, A.

ACS Combinatorial Science 20 436 (2018)

89. An open experimental database for exploring inorganic materials.

Zakutayev, A., Wunder, N., Schwarting, M., Perkins, J.D., White, R., Munch, K., Tumas, W. and Phillips, C.

Scientific data, 5, 180053 (2018)

88. Negative-pressure polymorphs made by heterostructural alloying.

Siol, S., Holder, A., Steffes, J., Schelhas, L.T., Stone, K.H., Garten, L., Perkins, J.D., Parilla, P.A., Toney, M.F., Huey, B.D. Tumas, W., Lany, S., and Zakutayev, A.

Science advances, 4 eaaq1442 (2018)

87. Enhanced piezoelectric response of AlN via CrN alloying.

Manna, S., Talley, K.R., Gorai, P., Mangum, J., Zakutayev, A., Brennecka, G.L., Stevanović, V. and Ciobanu, C.V.

Physical Review Applied, 9 034026 (2018)

86. Redox-Mediated Stabilization in Zinc Molybdenum Nitrides.

Arca, E., Lany, S., Perkins, J.D., Bartel, C., Mangum, J., Sun, W., Holder, A., Ceder, G., Gorman, B., Teeter, G. and Tumas, W., Zakutayev, A.

Journal of the American Chemical Society, 140, 4293 (2018)

85. Stabilization of wide band-gap p-type wurtzite MnTe thin films on amorphous substrates.

Siol, S., Han, Y., Mangum, J., Schulz, P., Holder, A.M., Klein, T.R., van Hest, M.F., Gorman, B. and Zakutayev, A.,

Journal of Materials Chemistry C, 6, 6297 (2018)

84. Band edge positions and their impact on the simulated device performance of ZnSnN2-based solar cells

E. Arca, A. Fioretti, S. Lany, A. C. Tamboli, G. Teeter, C. Melamed, J. Pan, K. N. Wood, E. Toberer, and A. Zakutayev.

IEEE Journal of Photovoltaics 8, 110 (2018)

2017

83. Solubility limits in quaternary SnTe-based alloys.

Siol, S., Holder, A., Ortiz, B.R., Parilla, P.A., Toberer, E., Lany, S. and Zakutayev, A.,

RSC Advances, 7 24747 (2017)

82. Automated algorithms for band gap analysis from optical absorption spectra.

Schwarting, M., Siol, S., Talley, K., Zakutayev, A. and Phillips, C.,

Materials Discovery, 10, 43 (2017)

81. Core Levels, Band Alignments, and Valence-Band States in CuSbS2 for Solar Cell Applications

T. J. Whittles, T. D. Veal, C. N. Savory, A. W. Welch, F. W. de Souza Lucas, J. T. Gibbon, M. Birkett, R. J. Potter, D. O. Scanlon, A. Zakutayev, and V. R. Dhanak

ACS Appl. Mater. Interfaces, 9, 41916 (2017)

80. Optoelectronic properties of strontium and barium copper sulfides prepared by combinatorial sputtering

Y.Han, S. Siol, Q. Zhang, A. Zakutayev

Chem. Mater., 29, 8239, (2017)

79. Characterization of defects in copper antimony disulfide

F. W. de Souza Lucas, H. Peng, S. Johnston, P. C. Dippo, S. Lany, L. H. Mascaro, A. Zakutayev

Journal of Materials Chemistry A 5, 21986, (2017)

78. Novel phase diagram behavior and materials design in heterostructural semiconductor alloys

A. M. Holder, S. Siol, P.F. Ndione, H. Peng, A. M. Deml, B. E. Matthews, L. T. Schelhas, M. F. Toney, R. G. Gordon, W. Tumas,J. D. Perkins, D. S. Ginley, B. P. Gorman, J.Tate, A. Zakutayev, S. Lany

Science Advances 3, e1700270 (2017)

77. Using heterostructural alloying to tune the structure and properties of thethermoelectric Sn1-xCaxSe

B. E. Matthews, A.M. Holder,. L.T. Schelhas, S. Siol, J.W. May, M. R. Forkner, Derek Vigil-Fowler, M. F. Toney, J D. Perkins, B. P. Gorman, A. Zakutayev, S. Lany and J. Tate

J. Mater. Chem. A, 5, 16873 (2017)

76. Thermodynamic Routes to Novel Metastable Nitrogen-Rich Nitrides

W. Sun, A. Holder, B. Orvañanos, E. Arca, A. Zakutayev, S. Lany, and G. Ceder

Chem. Mater. 29, 6936 (2017)

75. Monte Carlo simulations of disorder in ZnSnN2 and the effects on the electronic structure

S. Lany, A. N. Fioretti, P. P. Zawadzki, L. T. Schelhas, E. S. Toberer, A. Zakutayev, and A. C. Tamboli

Phys. Rev. Mat. 1, 035401 (2017)

74. Designof Metastable Tin Titanium Nitride Semiconductor Alloys

A. Bikowski, S. Siol, J. Gu, A. Holder, J. S. Mangum, B. Gorman, W. Tumas, S. Lany, and A. Zakutayev

Chem. Mater. 29, 6511 (2017)

73. Fulfilling the promise of the materials genome initiative with high-throughput experimental methodologies

M. L. Green, C. L. Choi, J. R. Hattrick-Simpers, A. M. Joshi, I. Takeuchi, S. C. Barron, E. Campo, T. Chiang, S. Empedocles, J. M. Gregoire, A. G. Kusne, J. Martin, A. Mehta, K. Persson, Z. Trautt, J. Van Duren, and A.Zakutayev

Applied Physics Reviews 4, 011105 (2017)

72. Atypically small temperature-dependence of the direct band gap in the metastable semiconductor copper nitride Cu3N

M. Birkett, C. N. Savory, A. N. Fioretti, P. Thompson, C. A. Muryn, A. D. Weerakkody, I. Z. Mitrovic, S. Hall, R. Treharne, V. R. Dhanak, D. O. Scanlon, A. Zakutayev, and T. D. Veal

Physical Review B 95, 115201 (2017)

71. Conduction band position tuning and Ga-doping in (Cd,Zn)S alloy thin films

Lauryn L. Baranowski, Steven Christensen, Adam W. Welch, Stephan Lany, Matthew Young, Eric S. Toberer, Andriy Zakutayev

Mater. Chem. Front., 1, 1342 (2017)

70. Brief review of emerging photovoltaicabsorber materials

Andriy Zakutayev

Current Opinion in Green and Sustainable Chemistry, 4, 8, (2017)

69. Trade-Offsin Thin Film Solar Cells with Layered Chalcostibite Photovoltaic Absorbers

Adam W. Welch, Lauryn L. Baranowski, Haowei Peng, Hannes Hempel, Rainer Eichberger, Thomas Unold, Stephan Lany, Colin Wolden, Andriy Zakutayev

Advanced Energy Materials, 7, 1601935, (2017)

68. Effectsof Hydrogen on Acceptor Activation in Ternary Nitride Semiconductors

Angela N. Fioretti, Adam Stokes,Matthew R. Young,Brian Gorman,Eric S. Toberer,Adele C. Tamboli,Andriy Zakutayev

Advanced Electronic Materials, 3, 1600544 (2017)

67. Perovskite-inspired photovoltaic materials: Toward best practices in materialscharacterization and calculations

Robert L. Z. Hoye, Philip Schulz, Laura T. Schelhas, Aaron M. Holder, Kevin H Stone, John D. Perkins, Derek Vigil-Fowler, Sebastian Siol, David O. Scanlon, Andriy Zakutayev, Aron Walsh, Ian C Smith, Brent C. Melot, Rachel C. Kurchin, Yiping Wang, Jian Shi, Francisco C. Marques, Joseph J. Berry, William Tumas, Stephan Lany, Vladan Stevanovic, Michael F. Toney, and Tonio Buonassisi

Chemistry of Materials, 29, 1964 (2017)

66. Amorphous oxides as electrontransport layers in Cu(In,Ga)Se2 superstrate devices

M. D. Heinemann,M. F. A. M. van Hest,M. Contreras,J. D. Perkins,A. Zakutayev,C. A. Kaufmann,T. Unold,D. S. Ginley,J. J. Berry

Physica Status Solidi A, 214, 1600870 (2017)

65. Combinatorial sputtering of Ga-doped (Zn,Mg)Of or contact applications in solar cells

P. P. Rajbhandar , A.Bikowski, J.D. Perkins, T. P. Dhakal, A. Zakutayev

Solar Energy Materials and Solar Cells 159, 219, (2017)

2016

64. Combinatorial In Situ Photoelectron Spectroscopy Investigation of Sb2Se3/ZnS Heterointerfaces

S. Siol, P. Schulz, M.Young, K. A. Borup, G. Teeter, and A. Zakutayev

Adv. Mater. Interfaces, 3, 1600755 (2016)

63. Tuning the physical properties of amorphous In–Zn–Sn–O thin films using combinatorial sputtering

P.F. Ndione, A. Zakutayev, M. Kumar, C.E. Packard, J.J. Berry, J.D. Perkins, D.S. Ginley

MRS Communications 6, 360 (2016)

62. The effect of sub-oxide phases on the transparency of tin-doped gallium oxide

K. Lim, L. T. Schelhas, S. C. Siah, R. E. Brandt, A. Zakutayev, S. Lany, B. Gorman, C.J. Sun, D. Ginley, T. Buonassisi, M.F. Toney

Applied Physics Letters 109, 141909 (2016)

61. Structure property relationships in gallium oxide thin films grown by pulsed laser deposition

L. M. Garten. A. Zakutayev, J. D. Perkins, B. P. Gorman, P. F. Ndione and D. S. Ginley

MRS Communications 6, 348 (2016)

60. A review of defects and disorder in multinary tetrahedrally bonded semiconductors

L. L Baranowski, P. Zawadzki, S. Lany, E.S. Toberer and A.Zakutayev

Semicond. Sci. Technol. 31 123004 (2016)

59. Pathway to oxide photovoltaics via band-structure engineering of SnO

H.Peng, A. Bikowski, A. Zakutayev, and S. Lany

APL Mater. 4 , 106103 (2016)

58. Synthesis and characterization of (Sn,Zn)O alloys

A. Bikowski, A. Holder, H.Peng, S. Siol, A. Norman, S. Lany, and A. Zakutayev

Chemistry of Materials 28, 7765, (2016)

57. Effects of Thermochemical Treatment on CuSbS2 Photovoltaic Absorber Quality and Solar Cell Reproducibility

F. W. de Souza Lucas, A. W. Welch, L. L. Baranowski, P. C. Dippo, P.C., H. Hempel, T. Unold, R. Eichberger, B. Blank, U. Rau, L. H. Mascaro, and A. Zakutayev

J. Phys. Chem. C, 120, 18377 (2016)

56. Combinatorial Chemical Bath Deposition of CdS Contacts for Chalcogenide Photovoltaics

K. Mokurala, L.L Baranowski, F. W. de Souza Lucas, S. Siol, S., M.F.M. van Hest, S. Mallick, P. Bhargava, P. and A. Zakutayev

ACS Combinatorial Science 18, 583, (2016)

55. Combinatorial Reactive Sputtering of In2S3 as an Alternative Contact Layer for Thin Film Solar Cells

S. Siol, T.P. Dhakal, G. S. Gudavalli, G. S., P. P. Rajbhandari, C. DeHart, L. L. Baranowski, and A. Zakutayev

ACS Applied Materials & Interfaces 8, 14004 (2016)

54. Advanced materials for solar energy conversion, in “Roadmap on optical energy conversion”

S. Lany, T. Gershon and A. Zakutayev et al

Journal of Optics, 18, 073004 (2016)

53. Understanding and control of bipolar self-doping in copper nitride

A. N. Fioretti, C. P. Schwartz, J. Vinson, D. Nordlund, D. Prendergast, A. C. Tamboli, C. M. Caskey, F. Tuomisto, F. Linez, S. T. Christensen, E. S. Toberer, S. Lany, and A. Zakutayev

J. Appl. Phys. 119, 181508 (2016)

52. Synthesisof a mixed-valent tin nitride and considerations of its possible crystal structures

C. M. Caskey, A. Holder, S. Shulda, S. T. Christensen, D. Diercks, C. P. Schwartz, D. Biagioni, D. Nordlund, A. Kukliansky, A. Natan, D. Prendergast, B. Orvananos, W. Sun, X. Zhang, G. Ceder, D. S. Ginley, W. Tumas, J. D. Perkins, V. Stevanovic, S. Pylypenko, S. Lany, R. M. Richards, and A. Zakutayev

J. Chem. Phys. 144, 144201 (2016)

51. Design of nitride semiconductors for solar energy conversion

A. Zakutayev

J. Mater. Chem. A 4, 6742 (2016)

50. Accelerated development of CuSbS2 thin film photovoltaic device prototypes

A. W. Welch, L. L. Baranowski, P. Zawadzki, C. DeHart, S. Johnston, S. Lany, C. A. Wolden, and A. Zakutayev

Progress in Photovoltaics 24, 929, (2016)

2015

49. Combinatorial insights into doping control and transport properties of zinc tin nitride

A. N. Fioretti, A. Zakutayev, H. Moutinho, C. Melamed, J. D. Perkins, A. G. Norman, M. Al-Jassim, E. S. Toberer and A. C. Tamboli

J. Mater. Chem. C, 3, 11017(2015)

48. Effects of Disorder on Carrier Transport in Cu2SnS3

L. L. Baranowski, K. McLaughlin, P. Zawadzki, S. Lany, A. Norman, H. Hempel, R. Eichberger, T. Unold, E. S. Toberer, and A Zakutayev

Phys. Rev. Appl. 4, 044017 (2015)

47. Extended antisite defects in tetrahedrally bonded semiconductors

Paweł Zawadzki, Andriy Zakutayev, and Stephan Lany

Phys. Rev. B 92, 201204(R) (2015)

46. CuSbSe2 photovoltaic devices with 3% efficiency

A. W. Welch, L. L. Baranowski, P. Zawadzki, S. Lany, C. A. Wolden, and A.Zakutayev

Appl. Phys. Exp. 8, 082301 (2015)

45. Design of Semiconducting Tetrahedral Mn1−xZnxOAlloys and Their Application to Solar Water Splitting

H. Peng, P. F. Ndione, D. S. Ginley, A. Zakutayev, and S Lany

Phys. Rev. X 5, 021016 (2015)

44. Entropy-Driven Clustering in Tetrahedrally Bonded Multinary Materials

P. Zawadzki, A. Zakutayev, and S. Lany

Phys. Rev. Appl. 3, 034007 (2015)

43. Non-equilibriumalloying controls optoelectronic properties in Cu2O thin films for photovoltaic absorber applications

A. Zakutayev, V. Stevanovic, and S. Lany

Appl. Phys. Lett. 106, 123903 (2015)

42. Semiconducting properties of spinel tin nitride and other IV3N4 polymorphs

C. M. Caskey, J. A. Seabold, V. Stevanović, M. Ma, W. A. Smith, D. S. Ginley, N. R. Neale, R. M. Richards, S. Lany and A. Zakutayev

J. Mater. Chem. C, 3, 1389 (2015)

41. Non-equilibrium synthesis, structure, and opto-electronic properties of Cu2−2xZnxO alloys

A. Subramaniyan, J. D. Perkins, R. P. O’Hayre, D. S. Ginley, S. Lany, A. Zakutayev

Journ. Mat. Sci. 50, 1350 (2015)

40. Self-regulated growth and tunable properties of CuSbS2 solar absorbers

A. W. Welch, P. P. Zawadzki, S. Lany, C. A. Wolden, A. Zakutayev

Solar Energy Materials and Solar Cells 132, 499 (2015)

2014

39. Composition Dependence of the Band Gap and Doping Cu2O in Based Alloys as Predicted by anExtension of the Dilute-Defect Model

V. Stevanović, A. Zakutayev, S. Lany

Phys. Rev. Applied 2, 044005 (2014)

38. Sensitized Zinc Cobalt Oxide Spinel P-type Photoelectrode

C. C. Mercado , A. Zakutayev , K. Zhu , C. J. Flynn , J. F. Cahoon , A. J Nozik

J. Phys. Chem. C, 118, 25340 (2014)

37. Control of doping in Cu2SnS3 through defects and alloying

L. L. Baranowski , P.P Zawadzki , S. T. Christensen , D. Nordlund , S. Lany , A. C. Tamboli , L. Gedvilas , D.S. Ginley , W. Tumas , E. S. Toberer , A. Zakutayev

Chem. Mater., 26, 4951 (2014)

36. Experimental Synthesis and Properties of Metastable CuNbN2 and Theoretical Extension to Other Ternary Copper Nitrides

A. Zakutayev , A. J. Allen , X. Zhang , J. Vidal , Z. Cui , S. Lany , M. Yang , F. J. DiSalvo , D. S. Ginley

Chem. Mater., 26, 4970 (2014)

35. A High-temperature, High-efficiency Solar Thermoelectric Generator Prototype

M. L. Olsen, E. L. Warren, P. A. Parilla, E. S. Toberer, C. E. Kennedy, G. J. Snyder, S. A. Firdosy, B. Nesmith, A. Zakutayev, A. Goodrich, C.S. Turchi, J. Netter, M.H. Gray, P.F. Ndione, R. Tirawat, L.L. Baranowski, A. Gray, D.S. Ginley

Energy Procedia 49, 1460 (2014)

34. Thin film synthesis and properties of copper nitride, a metastable semiconductor

C. M. Caskey, R. Richards, D. S. Ginley and A. Zakutayev

Mater. Horiz., 1, 424 (2014)

33. Defect Tolerant Semiconductors for Solar Energy Conversion

A. Zakutayev, C. M. Caskey, A. N. Fioretti, D. S. Ginley, J. Vidal, V. Stevanovic, E. Tea, and S. Lany

J. Phys. Chem. Lett. 5, 1117 (2014)

32. Non-equilibrium deposition of phase pure Cu2O thin films at reduced growth temperature [pdf]

A. Subramaniyan, J. D. Perkins, R. P. O’Hayre, S. Lany, V. Stevanovic, D. S. Ginley and A. Zakutayev

APL Materials 2, 022105 (2014)

31. Enhanced Electron MobilityDue to Dopant-Defect Pairing in Conductive ZnMgO

Y. Ke, S. Lany, J. J. Berry, J. D. Perkins, P. A. Parilla, A. Zakutayev, T. Ohno, R. O'Hayre, D. S. Ginley

Adv. Func. Mat. 24, 2875 (2014)

30. Control of the Electrical Properties in Spinel Oxides by Manipulating the Cation Disorder

P. F. Ndione, Y. Shi, V. Stevanovic, S. Lany, A. Zakutayev, P.A. Parilla, J. D. Perkins, J. J. Berry, D. S. Ginley, M. F. Toney

Adv. Func. Mat. 24, 610 (2014)

2013

29. Non-Equilibrium Origin of High Electrical Conductivity in Gallium Zinc Oxide Thin Films [pdf]

A. Zakutayev, N.H. Perry, T. O. Mason, D. S. Ginley and S. Lany

Appl. Phys. Lett., 103, 232106 (2013)

28. Evaluation of photovoltaic materials within the Cu-Sn-S family

P. Zawadzki, L. L. Baranowski, H. Peng, E. S. Toberer, D. S. Ginley, W. Tumas, A. Zakutayev, and S. Lany

Appl. Phys. Lett., 103, 253902 (2013)

27. Strong Optical Absorption in CuTaN2 Nitride Delafossite

M. Yang, A. Zakutayev , J. Vidal, X. Zhang, D. S. Ginley and F. J DiSalvo

Ener. Envir. Sci. 6, 2994 (2013)

26. Theoretical prediction and experimental realization of new stable inorganic materials using Inverse Design approach

A. Zakutayev , X. Zhang , A. Nagaraja , L. Yu , S. Lany , T. O. Mason , D. S. Ginley , and A. Zunger

J. Am. Chem. Soc. 135, 10048 (2013)

25. Li-Doped Cr2MnO4: A New p-Type TransparentConducting Oxide by Computational Materials Design

H. Peng, A. Zakutayev, S. Lany, T.R. Paudel, M. d'Avezac, P.F. Ndione, J.D. Perkins, D.S. Ginley, A.R. Nagaraja, N.H. Perry, T.O. Mason, and A. Zunger

Adv. Funct. Mat. 23, 5267, (2013)

24. Development and application of an instrument for spatially resolved Seebeck coefficient measurements

A. Zakutayev, F. J. Luciano, IV, V. P. Bollinger, A. K. Sigdel, P. F. Ndione, J. D. Perkins, J. J. Berry, P. A. Parilla, and D. S. Ginley,

Rev. Sci. Instrum. 84, 053905 (2013)

23. Materials by design to overcome the second grand challenge

E. Pentzer and A. Zakutayev,

Frontiers in Energy Research, January 2013

2012

22. Structural, optical and transport properties of a-and b-Ag3VO4

V. C. Cloet, A. Raw, K. R. Poeppelmeier, G. Trimarchi, H. Peng, J. Im, A. J. Freeman, N. H. Perry, T. O. Mason, A. Zakutayev, P. Ndione, D. S. Ginley, and J. D. Perkins

Chem. Mater. 24, 3346 (2012)

21. Cationoff-stoichiometry leads to high p-type conductivity and enhanced transparency in Co2ZnO4 and Co2NiO4 thin films

A. Zakutayev, T. R. Paudel, P. F. Ndione, J. D. Perkins, S. Lany, A. Zunger and D. S. Ginley

Phys. Rev. B 85, 085204 (2012)

20. Sorting Stable vs Unstable Hypothetical Compounds: The Case of Multi-Functional ABX Half-Heusler Filled Tetrahedral Structures

Xiuwen Zhang, Liping Yu, Andriy Zakutayev, and Alex Zunger

Advanced Functional Materials 22, 1425 (2012)

19. Surface origin of high conductivities in undoped In2O3 thin-films

S. Lany, A. Zakutayev, T. O. Mason, J. F. Wager, K. R. Poeppelmeier, J. D. Perkins, J. J. Berry, D. S. Ginley, and A. Zunger

Phys. Rev. Lett. 108, 016802 (2012)

18. Band-structure, optical properties, and defect physics of the photovoltaic semiconductor SnS

J. Vidal, S. Lany, M. d'Avezac, A. Zunger, A. Zakutayev, J. Francis, J. Tate

Appl. Phys. Lett. 100, 032104 (2012)

17. Sputtered Nickel Oxide Thin Film for Efficient Hole Transport Layer in Polymer-Fullerene Bulk-Heterojuntion Organic Solar Cell

N. E. Widjonarko, E. L. Ratcliff, C. L Perkins, A. K. Sigdel, A. Zakutayev, P. F. Ndione, D. T. Gillaspie, D. S. Ginley, D. C. Olson, J. J. Berry

Thin Solid Films, 520, 3813 (2012)

16. Synthesis, structure and optical properties of BiCuOCh (Ch = S, Se, Te)

A. P. Richard, J. A. Russell, A. Zakutayev, L. N. Zakharov, D. A. Keszler, J. Tate

Journal of Solid State Chemistry 187, 15 (2012)

15. The origin of electrical property deterioration with increasing Mg concentration in ZnMgO:Ga

Y. Ke, J. Berry, P. Parilla, A. Zakutayev, R. O’Hayre, D. S. Ginley

Thin Solid Films 520, 3697 (2012)

2011

14. Zn–Ni–Co–O wide-band-gap p-type conductive oxides with high work functions [pdf]

A. Zakutayev, J.D. Perkins, P.A. Parilla, N.E. Widjonarko, A.K. Sigdel, J.J. Berry and D.S. Ginley

MRS Communications 1, 23 (2011)

13. Doping Rules and Doping Prototypes in A2BO4 Spinel Oxides

T.R. Paudel, A. Zakutayev, S. Lany, M. d'Avezac, A. Zunger

Advanced Functional Materials 21, 4493 (2011)

12. Inverse design approach to hole doping in ternary oxides: Enhancing p-type conductivity in cobalt oxide spinels

J.D. Perkins, T.R. Paudel, A. Zakutayev, P. Ndione, P.A. Parilla, D.L. Young, S. Lany, D.S. Ginley and A. Zunger, N.H. Perry, Y. Tang, M. Grayson and T.O. Mason, J.S. Bettinger, Y. Shi and M.F. Toney

Phys. Rev. B 84, 205207 (2011)

prior to 2011

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