Subtopic Deep Dive
Oxynitride Perovskites
Research Guide
What is Oxynitride Perovskites?
Oxynitride perovskites are perovskite-structured materials containing both oxide (O²⁻) and nitride (N³⁻) anions, synthesized via ammonolysis of oxide precursors for applications in photocatalysis and phosphors.
These materials exhibit reduced band gaps due to nitrogen doping, enabling visible-light absorption. Key examples include SrTaO₂N, BaNbO₂N, and LaTiO₂N. Over 10 papers from 2001-2019 document synthesis, structures, and properties, with Ebbinghaus et al. (2009, 341 citations) providing a comprehensive review.
Why It Matters
Oxynitride perovskites drive visible-light photocatalysis for hydrogen evolution, as shown in Siritanaratkul et al. (2010, 238 citations) with Nb oxynitrides like SrNbO₂N achieving H₂ production from water. Fuertes (2012, 197 citations) highlights applications as non-toxic pigments and high-permittivity dielectrics. Kageyama et al. (2018, 872 citations) expand multi-anion chemistry for solar fuels and lighting phosphors.
Key Research Challenges
High-temperature synthesis limits
Traditional ammonolysis requires 900-1000°C, risking decomposition or phase impurities, as in Clarke et al. (2001, 120 citations) for LaZrO₂N. Kitano et al. (2019, 189 citations) address this with low-temperature routes for oxynitride-hydrides. Scalability remains constrained by precise N/O control.
Band gap engineering precision
Nitrogen incorporation narrows band gaps but unpredictably affects charge carrier dynamics, per Maeda et al. in Siritanaratkul (2010, 238 citations). Computational screening by Hinuma et al. (2016, 279 citations) aids prediction, yet experimental validation lags. Defect tolerance under photocatalysis needs improvement.
Structural characterization complexity
Distorted perovskite structures like GdFeO₃-type in Clarke et al. (2001) demand advanced neutron diffraction for N-site occupancy. Ebbinghaus et al. (2009, 341 citations) note challenges in distinguishing O/N positions. Ruddlesden-Popper phases in Clarke et al. (2002, 144 citations) add layering variability.
Essential Papers
Expanding frontiers in materials chemistry and physics with multiple anions
Hiroshi Kageyama, Katsuro Hayashi, Kazuhiko Maeda et al. · 2018 · Nature Communications · 872 citations
Perovskite-related oxynitrides – Recent developments in synthesis, characterisation and investigations of physical properties
Stefan G. Ebbinghaus, Hans‐Peter Abicht, Richard Dronskowski et al. · 2009 · Progress in Solid State Chemistry · 341 citations
Discovery of earth-abundant nitride semiconductors by computational screening and high-pressure synthesis
Yoyo Hinuma, Taisuke Hatakeyama, Yu Kumagai et al. · 2016 · Nature Communications · 279 citations
Abstract Nitride semiconductors are attractive because they can be environmentally benign, comprised of abundant elements and possess favourable electronic properties. However, those currently comm...
Synthesis and Photocatalytic Activity of Perovskite Niobium Oxynitrides with Wide Visible‐Light Absorption Bands
Bhavin Siritanaratkul, Kazuhiko Maeda, Takashi Hisatomi et al. · 2010 · ChemSusChem · 238 citations
Abstract Photocatalytic activities of perovskite‐type niobium oxynitrides (CaNbO 2 N, SrNbO 2 N, BaNbO 2 N, and LaNbON 2 ) were examined for hydrogen and oxygen evolution from water under visible‐l...
A flexible electron-blocking interfacial shield for dendrite-free solid lithium metal batteries
Hanyu Huo, Jian Gao, Ning Zhao et al. · 2021 · Nature Communications · 208 citations
Chemistry and applications of oxynitride perovskites
Amparo Fuertes · 2012 · Journal of Materials Chemistry · 197 citations
Oxynitride perovskites of early transition metals and rare earth or alkaline earth elements have been reported in the last decade as non-toxic pigments, colossal magnetoresistive materials, high pe...
Low-Temperature Synthesis of Perovskite Oxynitride-Hydrides as Ammonia Synthesis Catalysts
Masaaki Kitano, Jun Kujirai, Kiya Ogasawara et al. · 2019 · Journal of the American Chemical Society · 189 citations
Mixed anionic materials such as oxyhydrides and oxynitrides have recently attracted significant attention due to their unique properties, such as fast hydride ion conduction, enhanced ferroelectric...
Reading Guide
Foundational Papers
Start with Ebbinghaus et al. (2009, 341 citations) for synthesis/characterization overview; Clarke et al. (2001, 120 citations) for early structures like LaZrO₂N; Fuertes (2012, 197 citations) for applications summary.
Recent Advances
Kageyama et al. (2018, 872 citations) for multi-anion advances; Kitano et al. (2019, 189 citations) for low-T catalysts; Hinuma et al. (2016, 279 citations) for computational discovery.
Core Methods
Ammonolysis (900-1000°C, Clarke 2002); high-pressure synthesis (Hinuma 2016); neutron diffraction for O/N occupancy (Ebbinghaus 2009); DFT screening for band gaps.
How PapersFlow Helps You Research Oxynitride Perovskites
Discover & Search
Research Agent uses searchPapers('oxynitride perovskites synthesis') to retrieve Kageyama et al. (2018, 872 citations), then citationGraph to map 200+ citing works on multi-anion perovskites, and findSimilarPapers to uncover related Ta/Nb oxynitrides like Clarke et al. (2002). exaSearch handles niche queries like 'low-temperature ammonolysis oxynitrides'.
Analyze & Verify
Analysis Agent employs readPaperContent on Ebbinghaus et al. (2009) to extract synthesis protocols, verifyResponse with CoVe against Hinuma et al. (2016) for band gap claims, and runPythonAnalysis to plot band structures from extracted DFT data using NumPy/matplotlib. GRADE grading scores methodological rigor in photocatalysis claims from Siritanaratkul et al. (2010).
Synthesize & Write
Synthesis Agent detects gaps in low-T synthesis post-Kitano et al. (2019), flags contradictions in N-doping effects between Fuertes (2012) and recent works. Writing Agent uses latexEditText for revising structures, latexSyncCitations to integrate 10+ refs, latexCompile for publication-ready docs, and exportMermaid for perovskite phase diagrams.
Use Cases
"Model band gaps of SrNbO2N vs SrTaO2N from literature data"
Research Agent → searchPapers → Analysis Agent → runPythonAnalysis (pandas for citation data, matplotlib band gap plots) → researcher gets CSV-exported gap trends with statistical fits.
"Draft review on photocatalytic oxynitride perovskites with figures"
Synthesis Agent → gap detection → Writing Agent → latexGenerateFigure (perovskite structures) → latexSyncCitations (Ebbinghaus 2009 et al.) → latexCompile → researcher gets compiled PDF with diagrams.
"Find GitHub repos with oxynitride DFT simulation code"
Research Agent → paperExtractUrls (Hinuma 2016) → paperFindGithubRepo → githubRepoInspect → researcher gets verified code snippets for high-pressure nitride synthesis models.
Automated Workflows
Deep Research workflow scans 50+ papers via searchPapers on 'oxynitride perovskites photocatalysis', chains citationGraph → readPaperContent → GRADE, outputting structured report ranking synthesis methods by yield. DeepScan applies 7-step CoVe to verify band gap claims across Clarke et al. (2001-2002) and Maeda works. Theorizer generates hypotheses on hydride strategies from Kitano et al. (2019) + Yajima et al. (2015).
Frequently Asked Questions
What defines oxynitride perovskides?
Perovskite ABX₃ structures where X = O²⁻/N³⁻ mixtures, synthesized by oxide ammonolysis at high T, yielding visible-light absorbers like BaNbO₂N (Siritanaratkul et al., 2010).
What are main synthesis methods?
Ammonolysis of amorphous oxide precursors at 900-1000°C (Clarke et al., 2001, 120 citations); high-pressure routes (Hinuma et al., 2016); low-T hydride strategies (Kitano et al., 2019).
What are key papers?
Kageyama et al. (2018, 872 citations) on multi-anion frontiers; Ebbinghaus et al. (2009, 341 citations) review; Siritanaratkul et al. (2010, 238 citations) on Nb photocatalysts.
What are open problems?
Scalable low-T synthesis without impurities; precise band gap tuning for solar fuels; defect mitigation in photocatalysis (gaps post-Fuertes 2012 and Kitano 2019).
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Part of the Inorganic Chemistry and Materials Research Guide