Stephan Lany

National Renewable Energy Laboratory — United States

Materials Science · Physical Sciences

69h-index17.8kcitations381works1.52yr avg
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Research Topics

ZnO doping and properties(77), Electronic and Structural Properties of Oxides(72), Chalcogenide Semiconductor Thin Films(71), Machine Learning in Materials Science(71), Copper-based nanomaterials and applications(64)

Publications381 total

Toward Tunable Magnetic Dirac Semimetals: Mn Doping of Cd$_3$As$_2$
ArXiv.org·2026Open Access
Toward Tunable Magnetic Dirac Semimetals: Mn Doping of Cd$_3$As$_2$
arXiv (Cornell University)·2026Open Access
Pb-Apatite Framework as a Generator of Novel Flat-Band CuO-Based Physics
Crystals·2026Open Access
Ferrimagnetic Order in Tetragonal Antiperovskite Mn$_3$GeN
arXiv (Cornell University)·2025Open Access
Pseudo-equilibrium theory for extrinsic doping control of the topological semimetal Cd3As2
npj Computational Materials·2025Open Access
Metal oxide candidates for thermochemical water splitting obtained with a generative diffusion model
Journal of Physics Energy·2025Open Access
Large-scale experimental validation of thermochemical water-splitting oxides discovered by defect graph neural networks
Materials Horizons·2025· 1 cited
Author response for "Metal oxide candidates for thermochemical water splitting obtained with a generative diffusion model"
2025
Defect Diffusion Graph Neural Networks for Materials Discovery in High-Temperature Energy Applications
Chemistry of Materials·2025· 1 cited
Large-scale experimental validation of thermochemical water-splitting oxides discovered by defect graph neural networks
2025Open Access
Metal oxide candidates for thermochemical water splitting obtained with a generative diffusion model
2025· 1 citedOpen Access
(<i>Invited) </i>Development of Machine Learned Compounds and Evaluation Protocols for Solar Thermochemical Hydrogen Production
ECS Meeting Abstracts·2025
(<i>Invited) </i>Structure-Property Defect Models for Materials Discovery in Clean Energy Applications
ECS Meeting Abstracts·2025
Multiple Slater Determinants and Strong Spin-Fluctuations as Key Ingredients of the Electronic Structure of Electron- and Hole-Doped Pb10−xCux(PO4)6O
Crystals·2025· 1 citedOpen Access
Synthesis, Stability, and Magnetic Properties of Antiperovskite Co<sub>3</sub>PdN
Chemistry of Materials·2025· 3 citedOpen Access
Interlayer Ions Control Spin Canting in Low-Dimensional Manganese Trimers in 12R-Ba<sub>4</sub><i>M</i>Mn<sub>3</sub>O<sub>12</sub> (<i>M</i> = Ce, Pr) Layered Perovskites
Inorganic Chemistry·2024· 1 citedOpen Access
Heterostructural interface engineering for ultrawide-gap nitrides from first principles: <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline" overflow="scroll"><mml:mrow><mml:mi>Ta</mml:mi><mml:mi mathvariant="normal">C</mml:mi></mml:mrow></mml:math>/<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline" overflow="scroll"><mml:mrow><mml:mi>Al</mml:mi><mml:mi mathvariant="normal">N</mml:mi></mml:mrow></mml:math> and <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline" overflow="scroll"><mml:mrow><mml:mi>Ta</mml:mi><mml:mi mathvariant="normal">C</mml:mi></mml:mrow></mml:math>/<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline" overflow="scroll"><mml:mrow><mml:mi>Ga</mml:mi><mml:mi mathvariant="normal">N</mml:mi></mml:mrow></mml:math> rocksalt-wurtzite interfaces
Physical Review Applied·2024· 1 citedOpen Access
Thin film synthesis, structural analysis, and magnetic properties of novel ternary transition metal nitride <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>MnCoN</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:math>
Physical Review Materials·2024· 3 citedOpen Access
Evaluation of Ba(Al,Fe)2O4, a Machine Learned Compound, for Solar Thermochemical Hydrogen Production
2024Open Access
Non-Electricity Based Renewable Fuels: Theory and Computation for Solar Thermochemical Hydrogen
OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)·2024Open Access
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Frequent Co-authors

Alex Zunger(30), Andriy Zakutayev(14), Vladan Stevanović(8), David S. Ginley(7), Hannes Raebiger(5), Michael F. Toney(4), William Tumas(4), Aaron M. Holder(4), John D. Perkins(4), J. M. Osorio-Guillén(4), Julien Vidal(3), Eric S. Toberer(3), Haowei Peng(3), Joseph J. Berry(3), Xiuwen Zhang(2), Mayeul d’Avezac(2), Janet Tate(2), Clas Persson(2), Wenhao Sun(2), Christopher J. Bartel(2)