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RESEARCH PAPER · The Journal of Chemical Physics · 2016

Synthesis of a mixed-valent tin nitride and considerations of its possible crystal structures

Christopher M. Caskey, Aaron M. Holder, Sarah Shulda, Steve Christensen, David R. Diercks, Craig P. Schwartz, David Biagioni, Dennis L. Nordlund, Alon Kukliansky, Amir Natan, David Prendergast, Bernardo Orvañanos, Wenhao Q. Sun, Xiuwen Zhang, Gerbrand Ceder, David S. Ginley, William Tumas, John D. Perkins, Vladan Stevanović, Svitlana Pylypenko, Stephan Lany, Ryan M. Richards, Andriy Zakutayev

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Synthesis of a mixed-valent tin nitride and considerations of its possible crystal structuresOriginalElectronic Structure and Defect Physics of Tin Sulfides: SnS, Sn2S3 , and SnS2177ESIF 2016: Modernizing Our Grid and Energy System1Nitrogen chemical state in N-doped Cu2O thin films26Design of Metastable Tin Titanium Nitride Semiconductor Alloys35Computationally Driven Two-Dimensional Materials Design: What Is Next?55Thermodynamic Routes to Novel Metastable Nitrogen-Rich Nitrides173Optoelectronic Properties of Strontium and Barium Copper Sulfides Prepared by Combinatorial Sputtering35Instability in CH3NH3PbI3 perovskite solar cells due to elemental migration and chemical composition changes132Redox-Mediated Stabilization in Zinc Molybdenum Nitrides72Chemical environment and functional properties of highly crystalline ZnSnN2 thin films deposited by reactive sputtering at room temperature46Combinatorial Nitrogen Gradients in Sputtered Thin Films16Bond disproportionation, charge self-regulation, and ligand holes in s−p and in d -electron ABX3 perovskites by density functional theory62ZnSnN2 thin films for photovoltaic applications0COMBIgor: Data-Analysis Package for Combinatorial Materials Science66A map of the inorganic ternary metal nitrides430Low-Temperature Atomic Layer Deposition of Highly Conformal Tin Nitride Thin Films for Energy Storage Devices59Enhancement of the Yield of Ammonia by Hydrogen‐Sink Effect during Plasma Catalysis65Band modification of tin nitride thin films for green energy generation7Electrochemical Performance of Photovoltaic Cells Using HDA Capped-SnS Nanocrystal from bis (N-1,4-Phenyl-N-Morpho-Dithiocarbamato) Sn(II) Complexes10Prediction of Novel Tin Nitride SnxNy Phases Under Pressure30Properties of SnO2 and SnO2−xNx grown on the boat walls using vapor transport method6Influence of post-annealing on structural, optical and electrical properties of tin nitride thin films prepared by atomic layer deposition14Ba-acceptor doping in ZnSnN2 by reactive RF magnetron sputtering: (002) faceted Ba–ZnSnN2 films19Influence of Protection Layers on Thermal Stability of Nitride Thin Films12Investigation of the Acceleration and Suppression of the Light-Induced Degradation of a Lead Halide Perovskite Solar Cell Using Hard X-ray Photoelectron Spectroscopy11Lithium inserted ZnSnN2 thin films for solar absorber: n to p-type conversion20Tailoring Nitrogen Species in Disk‐Like Carbon Anode Towards Superior Potassium Ion Storage18Antimony nitride discovered by theoretical structure prediction, rapid thermal annealing, and in situ X-ray diffraction12Tin-nitrogen/carbon for superior oxygen reduction reaction at fuel cell cathode8Two-dimensional ion–molecule chelation reaction (2D-IMCRs) to form a two-dimensional dual optical sensor (2D-DOS): synthesis and application of Phen-SnO 2 nanosheets for the fluorometric and colorimetric sensing of nitroaromatic explosives11Combinatorial Synthesis of Cation-Disordered Manganese Tin Nitride MnSnN 2 Thin Films with Magnetic and Semiconducting Properties16Polymorphism of group-IV carbides: Structures, (meta)stability, electronic, and transport properties11The Critical Role of Anharmonic Lattice Dynamics for Macroscopic Properties of the Visible Light Absorbing Nitride Semiconductor CuTaN 210Mixed Tin Valence in the Tin(II/IV)‐Nitridophosphate Sn3P8N162All “Roads” Lead to Rocksalt Structure15Scalable Bulk Synthesis of Phase‐Pure γ‐ Sn 3 N 4 as a Model for an Argon‐Flow‐Mediated Metathesis Reaction1Basin-Size Mapping: Prediction of Metastable Polymorph Synthesizability Across TaC–TaN Alloys3Superior oxygen reduction activity of a bimetallic SnFe nanoalloy on nitrogen-doped carbon: active sites and mechanism5Effective bands and band-like electron transport in amorphous solids6Role of Nitrogen Doping in Defect Control and Phase Stability of Sulfurized SnS Thin Films0

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  1. Electronic Structure and Defect Physics of Tin Sulfides: SnS, Sn2S3 , and SnS2

    Physical Review Applied · 2016-07-18

    Yu Kumagai, Lee A. Burton, Aron Walsh, Fumiyasu Oba

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  2. ESIF 2016: Modernizing Our Grid and Energy System

    Unknown journal · 2017-03-09

    National Renewable Energy Lab. (NREL), Golden, CO (United States), Kimberly Van Becelaere, USDOE Office of Energy Efficiency and Renewable Energy (EERE)

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  3. Nitrogen chemical state in N-doped Cu2O thin films

    Applied Physics Letters · 2017-03-27

    Yong Wang, Jaâfar Ghanbaja, David Horwat, Lan Yu, J.F. Pierson

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  4. Design of Metastable Tin Titanium Nitride Semiconductor Alloys

    Chemistry of Materials · 2017-07-07

    André Bikowski, Sebastian Siol, Jing Hua Gu, Aaron M. Holder, John S. Mangum, Brian P. Gorman, William Tumas, Stephan Lany, Andriy Zakutayev

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  5. Computationally Driven Two-Dimensional Materials Design: What Is Next?

    ACS Nano · 2017-07-17

    Jie Pan, Stephan Lany, Yue Qi

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  6. Thermodynamic Routes to Novel Metastable Nitrogen-Rich Nitrides

    Chemistry of Materials · 2017-07-17

    Wenhao Q. Sun, Aaron M. Holder, Bernardo Orvañanos, Elisabetta Arca, Andriy Zakutayev, Stephan Lany, Gerbrand Ceder

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  7. Optoelectronic Properties of Strontium and Barium Copper Sulfides Prepared by Combinatorial Sputtering

    Chemistry of Materials · 2017-09-18

    Yanbing Han, Sebastian Siol, Qun Zhang, Andriy Zakutayev

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  8. Instability in CH3NH3PbI3 perovskite solar cells due to elemental migration and chemical composition changes

    Scientific Reports · 2017-11-07

    Zubair Ahmad, Mansoor Ani Najeeb, Abdul Shakoor, Abdulla Alashraf, Shaheen A. Al‐Muhtaseb, Ahmed Soliman, Mohammad Khaja Nazeeruddin

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  9. Redox-Mediated Stabilization in Zinc Molybdenum Nitrides

    Journal of the American Chemical Society · 2018-03-01

    Elisabetta Arca, Stephan Lany, John D. Perkins, Christopher J. Bartel, John S. Mangum, Wenhao Q. Sun, Aaron M. Holder, Gerbrand Ceder, Brian P. Gorman, Glenn R. Teeter, William Tumas, Andriy Zakutayev

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  10. Chemical environment and functional properties of highly crystalline ZnSnN2 thin films deposited by reactive sputtering at room temperature

    Solar Energy Materials and Solar Cells · 2018-03-14

    Fahad Alnjiman, Sébastien Diliberto, Jaâfar Ghanbaja, Émile Haye, Spyridon Kassavetis, Panos A. Patsalas, Christine Gendarme, Stéphanie Bruyère, Franck Cleymand, Patrice Miska, Pascal Boulet, J.F. Pierson

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  11. Combinatorial Nitrogen Gradients in Sputtered Thin Films

    ACS Combinatorial Science · 2018-05-17

    Yanbing Han, Bethany E. Matthews, Dennice M. Roberts, Kevin R. Talley, Sage R. Bauers, Craig L. Perkins, Qun Zhang, Andriy Zakutayev

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  12. Bond disproportionation, charge self-regulation, and ligand holes in s−p and in d -electron ABX3 perovskites by density functional theory

    Physical review. B./Physical review. B · 2018-08-20

    Gustavo M. Dalpian, Qinlong Liu, Julien Varignon, Manuel Bibès, Alex Zunger

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  13. ZnSnN2 thin films for photovoltaic applications

    Unknown journal · 2018-12-21

    Fahad Alnjiman

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  14. COMBIgor: Data-Analysis Package for Combinatorial Materials Science

    ACS Combinatorial Science · 2019-05-23

    Kevin R. Talley, Sage R. Bauers, Celeste L. Melamed, Meagan C. Papac, Karen N. Heinselman, Imran Khan, Dennice M. Roberts, Valerie Jacobson, Allison V. Mis, Geoff L. Brennecka, John D. Perkins, Andriy Zakutayev

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  15. A map of the inorganic ternary metal nitrides

    Nature Materials · 2019-06-17

    Wenhao Q. Sun, Christopher J. Bartel, Elisabetta Arca, Sage R. Bauers, Bethany E. Matthews, Bernardo Orvañanos, Bor-Rong Chen, Michael F. Toney, Laura T. Schelhas, William Tumas, Janet Tate, Andriy Zakutayev, Stephan Lany, Aaron M. Holder, Gerbrand Ceder

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  16. Low-Temperature Atomic Layer Deposition of Highly Conformal Tin Nitride Thin Films for Energy Storage Devices

    ACS Applied Materials & Interfaces · 2019-10-21

    Mohd Zahid Ansari, Dip K. Nandi, Petr Janíček, Sajid Ali Ansari, Rahul Ramesh, Taehoon Cheon, Bonggeun Shong, Soo‐Hyun Kim

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  17. Enhancement of the Yield of Ammonia by Hydrogen‐Sink Effect during Plasma Catalysis

    ChemCatChem · 2019-10-30

    Javishk R. Shah, Fnu Gorky, Peter C. Psarras, Bomsaerah Seong, Diego A. Gómez‐Gualdrón, Maria L. Carreon

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  18. Band modification of tin nitride thin films for green energy generation

    Journal of Physics and Chemistry of Solids · 2019-12-02

    N.A. Muhammed Sabeer, Anju Paulson, P. P. Pradyumnan

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  19. Electrochemical Performance of Photovoltaic Cells Using HDA Capped-SnS Nanocrystal from bis (N-1,4-Phenyl-N-Morpho-Dithiocarbamato) Sn(II) Complexes

    Nanomaterials · 2020-02-27

    Johannes Zanoxolo Mbese, Edson L. Meyer, Mojeed Adedoyin Agoro

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  20. Prediction of Novel Tin Nitride SnxNy Phases Under Pressure

    The Journal of Physical Chemistry C · 2020-03-21

    Busheng Wang, Rabii Larhlimi, Hubert Valencia, Frédéric Guégan, Gilles Frapper

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  21. Properties of SnO2 and SnO2−xNx grown on the boat walls using vapor transport method

    Applied Physics A · 2020-05-26

    A. M. Abd El-Rahman, S. H. Mohamed

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  22. Influence of post-annealing on structural, optical and electrical properties of tin nitride thin films prepared by atomic layer deposition

    Applied Surface Science · 2020-10-01

    Mohd Zahid Ansari, Petr Janíček, Dip K. Nandi, Karel Pálka, Stanislav Šlang, Deok Hyun Kim, Taehoon Cheon, Soo‐Hyun Kim

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  23. Ba-acceptor doping in ZnSnN2 by reactive RF magnetron sputtering: (002) faceted Ba–ZnSnN2 films

    Journal of Alloys and Compounds · 2020-10-05

    Karthik Kumar Chinnakutti, Vengatesh Panneerselvam, Thankaraj Salammal Shyju

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

    physica status solidi (RRL) - Rapid Research Letters · 2021-05-18

    Andriy Zakutayev, Craig L. Perkins

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  25. Investigation of the Acceleration and Suppression of the Light-Induced Degradation of a Lead Halide Perovskite Solar Cell Using Hard X-ray Photoelectron Spectroscopy

    ACS Applied Energy Materials · 2022-03-08

    Takeyuki Sekimoto, Ryusuke Uchida, Maki Hiraoka, Taisuke Matsui, Ryosuke Kikuchi, Toru Nakamura, Teruaki Yamamoto, Kenji Kawano, Takayuki Negami, Yukihiro Kaneko

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  26. Lithium inserted ZnSnN2 thin films for solar absorber: n to p-type conversion

    Materials Today Chemistry · 2022-06-02

    Karthik Kumar Chinnakutti, Lokanath Patra, Vengatesh Panneerselvam, Durai Govindarajan, Soorathep Kheawhom, Jayaraman Theerthagiri, Yiseul Yu, Thankaraj Salammal Shyju, Myong Yong Choi

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  27. Tailoring Nitrogen Species in Disk‐Like Carbon Anode Towards Superior Potassium Ion Storage

    Small · 2022-07-01

    Gongrui Wang, Wentao Wang, Xiaoyue He, Jie Li, Lai Gui Yu, Bo Peng, Rong Liu, Suyuan Zeng, Genqiang Zhang

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  28. Antimony nitride discovered by theoretical structure prediction, rapid thermal annealing, and in situ X-ray diffraction

    Cell Reports Physical Science · 2022-08-01

    Bor‐Rong Chen, Stephan Lany, Leah L. Kelly, Elisabetta Arca, Yuki Iguchi, John D. Perkins, Hiroshi Yanagi, Michael F. Toney, Laura T. Schelhas, Andriy Zakutayev

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  29. Tin-nitrogen/carbon for superior oxygen reduction reaction at fuel cell cathode

    International Journal of Hydrogen Energy · 2022-12-31

    Prabal Sapkota, Sean Lim, Kondo‐François Aguey‐Zinsou

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  30. Two-dimensional ion–molecule chelation reaction (2D-IMCRs) to form a two-dimensional dual optical sensor (2D-DOS): synthesis and application of Phen-SnO 2 nanosheets for the fluorometric and colorimetric sensing of nitroaromatic explosives

    Environmental Science Nano · 2023-01-01

    Deepak Dabur, Yen-Ting Chan, Hui‐Fen Wu

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  31. Combinatorial Synthesis of Cation-Disordered Manganese Tin Nitride MnSnN 2 Thin Films with Magnetic and Semiconducting Properties

    Chemistry of Materials · 2023-03-23

    Christopher L. Rom, Rebecca W. Smaha, Celeste L. Melamed, Rekha R. Schnepf, Karen N. Heinselman, John S. Mangum, Sang‐Jun Lee, Stephan Lany, Laura T. Schelhas, Ann L. Greenaway, James Richmond Neilson, Sage R. Bauers, Adele C. Tamboli, Jennifer S. Andrew

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  32. Polymorphism of group-IV carbides: Structures, (meta)stability, electronic, and transport properties

    Physical Review Materials · 2023-05-12

    Matthew Jankousky, Emily M. Garrity, Vladan Stevanović

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  33. The Critical Role of Anharmonic Lattice Dynamics for Macroscopic Properties of the Visible Light Absorbing Nitride Semiconductor CuTaN 2

    Advanced Energy Materials · 2024-03-30

    Franziska Simone Hegner, Adi Cohen, Stefan S. Rudel, Silva M. Kronawitter, Manuel Grumet, Xiangzhou Zhu, Roman Korobko, Lothar Houben, Chang‐Ming Jiang, Wolfgang Schnick, Gregor Kieslich, Omer Yaffe, Ian D. Sharp, David A. Egger

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  34. Mixed Tin Valence in the Tin(II/IV)‐Nitridophosphate Sn3P8N16

    Chemistry - A European Journal · 2024-05-08

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  35. All “Roads” Lead to Rocksalt Structure

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  36. Scalable Bulk Synthesis of Phase‐Pure γ‐ Sn 3 N 4 as a Model for an Argon‐Flow‐Mediated Metathesis Reaction

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  37. Basin-Size Mapping: Prediction of Metastable Polymorph Synthesizability Across TaC–TaN Alloys

    Journal of the American Chemical Society · 2025-01-21

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  38. Superior oxygen reduction activity of a bimetallic SnFe nanoalloy on nitrogen-doped carbon: active sites and mechanism

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  39. Effective bands and band-like electron transport in amorphous solids

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  40. Role of Nitrogen Doping in Defect Control and Phase Stability of Sulfurized SnS Thin Films

    physica status solidi (b) · 2026-06-01

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