Modelling oxygen defects in orthorhombic LaMnO3 and its low index surfaces
文献情報
Ailbhe L. Gavin, Graeme W. Watson
LaMnO3-based perovskites, which have been extensively studied as cathodes for high temperature solid oxide fuel cells (SOFCs), are also of interest for intermediate temperature SOFCs (T = 600–1000 K). Oxygen vacancy formation is required in LaMnO3 for oxygen diffusion, therefore a low vacancy formation energy is preferable. The stability of the low index surfaces of orthorhombic LaMnO3 has been investigated, with the {010} surface found to be the most stable. Surface stability was found to be affected by the La and Mn coordination, and the Mn–O bonds cleaved on surface formation. The crystal morphology has been predicted, in order to determine the most likely terminations to be present. The formation of oxygen vacancies in bulk LaMnO3 and at all of its low index surfaces has been examined, and it has been found that formation of vacancies in the bulk has a high energy, while there is a large variation in formation energies at the low index surfaces, which is likely to lead to segregation of vacancies to the surface of orthorhombic LaMnO3.
関連文献
Observation of inflammation-induced mitophagy during stroke by a mitochondria-targeting two-photon ratiometric probe
Fei Cheng, Longfang Ren, Tianyu Liang, Xiaoyang Gao, Baoshuai Wang
DOI: 10.1039/D1AN00208B
Non-contact detection of thiodiglycol vapors and associated degradation products using atmospheric flow tube mass spectrometry
Kelsey A. Morrison, Brian H. Clowers
DOI: 10.1039/D0AN01793K
A microfluidic microparticle-labeled impedance sensor array for enhancing immunoassay sensitivity
Drago Sticker, Mario Rothbauer, Peter Ertl
DOI: 10.1039/D0AN02081H
Chemometrics in forensic science: approaches and applications
Georgina Sauzier, Wilhelm van Bronswijk, Simon W. Lewis
DOI: 10.1039/D1AN00082A
MCR-ALS with sample insertion constraint to enhance the sensitivity of surface-enhanced Raman scattering detection
Thanyada Sukmanee, Sanong Ekgasit, Yasutaka Kitahama, Yukihiro Ozaki
DOI: 10.1039/D1AN00069A
The Boolean logic tree of molecular self-assembly system based on cobalt oxyhydroxide nanoflakes for three-state logic computation, sensing and imaging of pyrophosphate in living cells and in vivo
Xin Xing Zhang, Qiu Yan Zhu, Jiao Yang Lu, Fu Rui Zhang, Wei Tao Huang, Xue Zhi Ding, Li Qiu Xia
DOI: 10.1039/C8AN01565A
A MnO2 nanosheet-mediated photo-controlled DNAzyme for intracellular miRNA cleavage to suppress cell growth
Yehua Liu, Zhenxiang Liu, Ruiting Liu, Kemin Wang, Hui Shi, Jin Huang
DOI: 10.1039/D1AN00406A
Rapid and low-cost amplicon visualization for nucleic acid amplification tests using magnetic microbeads
Michihiko Nakano, Masafumi Inaba, Junya Suehiro
DOI: 10.1039/D0AN02349C
A one-pot fluorogenic cascade cyclization reaction via BF3-sensing
Moumi Mandal, Ajit Kumar Mahapatra, Arik Kar
DOI: 10.1039/D1AN00298H
こちらもおすすめ
6-苄基-6,7-二氢-5H-吡咯并3,4-b吡啶とは何ですか?
6-苄基-6,7-二氢-5H-吡咯并3,4-b吡啶は、CAS番号109966-30-5の化合物です。これは、6-ベンジル基を持つ6,7-二氢-5H-吡咯並みの化...
半硫酸奎宁单水水合物はどのように保存すればよいですか?
半硫酸奎宁单水水合物は、乾燥した涼しい場所に保管し、直射日光や湿気を避ける必要があります。保存温度は常温(15〜25℃)が適切で、湿度は40%以下を維持すること...
D-核糖-5-リン酸二ナトリウムとは何ですか?
D-核糖-5-リン酸二ナトリウムは、CAS番号18265-46-8を有する化合物で、D-核糖の5位付加部位にリン酸基が結合した化合物です。この化合物は、水溶性で...
3-乙酰基-4-羟基喹啉-2(1H)-酮はどのように合成されますか?
3-乙酰基-4-羟基喹啉-2(1H)-酮は、ハイドロキノンと酢酸アセトイルアミドのアミド化反応により合成されます。この反応は塩基触媒を用いて行われ、選択性は良好...
5-溴-4-甲基-1H-吲唑とは何ですか?
5-溴-4-甲基-1H-吲唑は、CAS番号1082041-34-6の化学物質で、化学式はC10H9BrNです。この化合物は淡黄色の結晶性粉末で、吸湿性があります...
3-(4メトキシフェニル)オキテナン-3カーボイル酸の代替品はありますか?
3-(4メトキシフェニル)オキテナン-3カーボイル酸の代替品は、その用途により異なりますが、例えば4-(メトキシフェニル)オキテナン-3カーボイル酸や、他のオキ...
3-イリドオキシピロロ[2,3-b]ピリジン-5-カルボキシlic酸は安全ですか?
3-イリドオキシピロロ[2,3-b]ピリジン-5-カルボキシlic酸は危険な化合物ではありませんが、適切な手袋や保護眼鏡の使用を推奨します。誤って摂取または接触...
3-氟-4- iodobenolを取り扱う際の実験室安全事項は何ですか?
3-氟-4- iodobenolは可燃性を有し、強力な反応性を持つため、取り扱いには注意が必要です。PPE(個人保護具)の着用、ドラフトチャンバーの使用、漏洩時...
掲載誌
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.














