Electron localization in niobium doped CaMnO3 due to the energy difference of electronic states of Mn and Nb
文献情報
Yi Li, Jian Liu, Ji-Chao Li, Yu-Fei Chen, Xin-Miao Zhang, Xue-Jin Wang, Fu-Ning Wang, Wen-Bin Su, Lan-Ling Zhao, Chun-Lei Wang
The electron localization in Nb-doped CaMnO3 is analyzed in terms of the space and energy distribution of electronic states employing first-principles calculations. The energy difference of Mn 3d states and Nb 4d states makes NbO6 octahedra impede electrical conduction, so the random distribution of Nb in lattices leads to the localization of electrons near the bottom of the conduction bands. Therefore, although more carriers are introduced when Nb-doping content increases, both the electrical conductivity and absolute thermopower decrease in Nb heavy doped CaMnO3. The calculated transport properties agree well with the experimental data, supporting the analysis of localization.
おすすめジャーナル

Photochemical & Photobiological Sciences

CrystEngComm

Journal of Enzyme inhibition and Medicinal Chemistry

Molecular Diversity

Current Pharmaceutical Biotechnology

Physical Chemistry Chemical Physics

Nature Reviews Drug Discovery

European Journal of Organic Chemistry

Faraday Discussions

Advanced Engineering Materials
関連文献
Strain induced reactivity of cyclic iminoboranes: the (2 + 2) cycloaddition of a 1H-1,3,2-diazaborepine with ethene
Divanshu Gupta, Ralf Einholz, Holger F. Bettinger
DOI: 10.1039/D3SC04901A
Group 13 ion coordination to pyridyl breaks the reduction potential vs. hydricity scaling relationship for dihydropyridinates
Leo W. T. Parsons, James C. Fettinger, Louise A. Berben
DOI: 10.1039/D3SC03806H
An expeditive and green chemo-enzymatic route to diester sinapoyl-l-malate analogues: sustainable bioinspired and biosourced UV filters and molecular heaters
Benjamin Rioux, Louis M. M. Mouterde, Jimmy Alarcan, Matthias J. A. Vink, Jack M. Woolley, Aurélien A. M. Peru, Matthieu M. Mention, Fanny Brunissen, Giel Berden, Jos Oomens, Albert Braeuning, Florent Allais
DOI: 10.1039/D3SC04836E
Machine learning for analysis of experimental scattering and spectroscopy data in materials chemistry
Andy S. Anker, Keith T. Butler, Kirsten M. Ø. Jensen
DOI: 10.1039/D3SC05081E
Engineered aptamers for molecular imaging
Bingqian Lin, Feng Xiao, Jinting Jiang, Zhengjia Zhao, Xiang Zhou
DOI: 10.1039/D3SC03989G
Dipyrrolonaphthyridinedione – (still) a mysterious cross-conjugated chromophore
Bartłomiej Sadowski, Daniel T. Gryko
DOI: 10.1039/D3SC05272A
Towards designer polyolefins: highly tuneable olefin copolymerisation using a single permethylindenyl post-metallocene catalyst
Clement G. Collins Rice, Louis J. Morris, Jean-Charles Buffet, Zoë R. Turner, Dermot O'Hare
DOI: 10.1039/D3SC04861F
Lewis acid catalysed polymerisation of cyclopentenone
Deepamali Dissanayake, Alysia Draper, Neelofur Jaunnoo, Joris J. Haven, Craig Forsyth, Alasdair I. McKay, Tanja Junkers, Dragoslav Vidović
DOI: 10.1039/D3SC05186B
こちらもおすすめ
2-ブロモ-9,9-ジフェニル-9H-フルオレンの主な用途は何ですか?
2-溴-9,9-二苯基芴は、医薬品、工業材料、有機合成の研究分野で応用されます。特に、レーザー材料や機能性ポリマーの合成に使用されることがあります。また、蛍光色...
四氯化铱の市場動向や研究トレンドはどうですか?
四氯化铱の市場は研究開発分野で注目されており、特にナノ技術や金属有機框架(MOFs)の分野での需要が増加傾向にあります。価格は安定しており、中国や韓国での生産が...
1-(4-溴-3-氟苯基)-2-氯乙酮を含む廃棄物はどのように処理すべきですか?
1-(4-溴-3-氟苯基)-2-氯乙酮 (CAS番号: 1260857-14-4) の廃棄物は専門的な廃棄処理が必要です。まず、廃棄物は密閉された容器に収集し、...
苦参酚Kとは何ですか?
苦参酚Kは、CAS番号101236-49-1を持つ化合物で、主に天然由来の生薬から抽出されます。この化合物は、抗炎症作用や抗癌作用を持つことが報告されています。
POTASSIUM (1-(TERTBUTOXYCARBONYL)AZETIDIN-3-YL)TRIFLUOROBORATE を含む廃棄物はどのように処理すべきですか?
POTASSIUM (1-(TERTBUTOXYCARBONYL)AZETIDIN-3-YL)TRIFLUOROBORATE を含む廃棄物は、まず安全なエント...
4-庚基-4’-联苯羧酸の市場動向や研究トレンドはどうですか?
4-庚基-4’-聯苯羧酸は、特殊化学品や合成化学の分野で用いられる化学物質ですが、市場動向としては、研究開発の進展とともに需要が増加しています。また、環境配慮型...
6-ブロモ-3-メトキシ-1-フェニル-1H-インドゾールを含む廃棄物はどのように処理すべきですか?
6-ブロモ-3-メトキシ-1-フェニル-1H-インドゾールを含む廃棄物は、適切な化学廃棄処理が必要です。通常、廃棄物は密閉容器に収集され、専門の廃棄処理業者に引...
4,4-二甲基-2-吡咯烷酮はどの業界で使用されていますか?
4,4-二甲基-2-吡咯烷酮は医薬、ポリマー、センサー、半導体などの業界で広く使用されています。特に溶媒としての性能が高く評価されています。
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.
![6-Benzyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3(2H)-one structure 6-Benzyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3(2H)-one structure](https://static.chemtradehub.com/structs/909/909187-64-0-f54f.webp)

![1-[3-(4-Morpholinylsulfonyl)phenyl]methanamine structure 1-[3-(4-Morpholinylsulfonyl)phenyl]methanamine structure](https://static.chemtradehub.com/structs/933/933989-32-3-51af.webp)

![Pyrazolo[1,5-a]pyridine-3-carbothioamide structure Pyrazolo[1,5-a]pyridine-3-carbothioamide structure](https://static.chemtradehub.com/structs/885/885275-44-5-aae0.webp)