Proton mobility through a second order phase transition: theoretical and experimental study of LaNbO4
Literature Information
Harald Fjeld, Kazuaki Toyoura, Reidar Haugsrud, Truls Norby
The gradual change in the crystal structure of the high temperature proton conductor LaNbO4 through a second order phase transition and its relation to the activation enthalpy of mobility of protons have been studied by means of first principles calculations and conductivity measurements. The computations have revealed that protons diffuse by an inter-tetrahedral mechanism where the activation enthalpies of mobility are 39 and 60 kJ mol−1 in tetragonal and monoclinic LaNbO4, respectively. The activation enthalpy of mobility of protons for tetragonal LaNbO4, determined from the conductivity curve, is 35 kJ mol−1. Below the transition temperature the conductivity curve bends; initially dropping off steeply, followed by a less steep decrease towards lower temperatures. The bend in the conductivity curve at the onset of the phase transition in LaNbO4 should not be given the traditional interpretation as an abrupt change in the activation enthalpy of mobility. After application of the proper analysis of the conductivity data, which takes the second order transition into account, the activation enthalpy of mobility of protons is found to continuously increase with increasing monoclinic angle at decreasing temperature, reaching ∼57 kJ mol−1 at 205 °C for the end monoclinic phase.
Recommended Journals

Critical Reviews in Solid State and Materials Sciences

Electroanalysis

Journal of Chemical Sciences

Bioorganic & Medicinal Chemistry

Acta Metallurgica Sinica-English Letters

Journal of Asian Natural Products Research

NDT & E International

Chinese Journal of Chemistry

Main Group Chemistry

Biocatalysis and Biotransformation
Related Literature
Airborne passive Fourier transform infrared remote sensing of methanol vapor from industrial emissions
Boyong Wan, Gary W. Small
DOI: 10.1039/B802557F
Achromatic–chromatic colorimetric sensors for on–off type detection of analytes
Jun Hyuk Heo, Hui Hun Cho, Jin Woong Lee
DOI: 10.1039/C4AN01645A
Conversion of a laboratory-based test for phenylalanine detection to a simple paper-based format and implications for PKU screening in low-resource settings
Gregory Thiessen, Robert Robinson, Kim De Los Reyes, Raymond J. Monnat, Jr.
DOI: 10.1039/C4AN01627K
An accurate and transferable protocol for reproducible quantification of organic pollutants in human serum using direct isotope dilution mass spectrometry
Andrew J. Boggess, G. M. Mizanur Rahman, Matt Pamukcu, Scott Faber, H. M. Skip Kingston
DOI: 10.1039/C4AN00851K
Effect of pH on the photophysical properties of two new carboxylic-substituted iridium(iii) complexes
Jiena Weng, Qunbo Mei, Weiwei Jiang, Quli Fan, Bihai Tong, Qidan Ling, Wei Huang
DOI: 10.1039/C2AN36298H
Amperometric hydrogen peroxide and glucose biosensor based on NiFe2/ordered mesoporous carbon nanocomposites
Longwei Yin, Jingyun Ma, Enyan Guo, Qun Li, Zhaoqiang Li, Kegao Liu
DOI: 10.1039/C4AN01549E
Preparation of polyhedral oligomeric silsesquioxane based hybrid monoliths by thiol-ene click chemistry for capillary liquid chromatography
Shufen Shen, Fanggui Ye, Cong Zhang, Yuhao Xiong, Linjing Su, Shulin Zhao
DOI: 10.1039/C4AN01668H
Rapid hydrolysis and electrochemical detection of trace carbofuran at a disposable heated screen-printed carbon electrode
Hang Wei, Jian-Jun Sun, Yan-Min Wang, Xiao Li, Guo-Nan Chen
DOI: 10.1039/B806750C
In vitro HER2 protein-induced affinity dissociation of carbon nanotube-wrapped anti-HER2 aptamers for HER2 protein detection
Javed H. Niazi, Sandeep K. Verma, Sarfaraj Niazi, Anjum Qureshi
DOI: 10.1039/C4AN01665C
ATP detection using a label-free DNA aptamer and a cationic tetrahedralfluorene
Yanyan Wang, Bin Liu
DOI: 10.1039/B806908E
You might also like
What precautions should be taken when handling 2-Chloro-1,2-bis(4-methylphenyl)ethanone (CAS: 71193-32-3)?
When handling 2-Chloro-1,2-bis(4-methylphenyl)ethanone (CAS: 71193-32-3), it is ...
What industries use 4-Ethoxy-3-(5-methyl-4-oxo-7-propyl-1,4-dihydroimidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonyl chloride (CAS: 224789-26-8)?
4-Ethoxy-3-(5-methyl-4-oxo-7-propyl-1,4-dihydroimidazo[5,1-f][1,2,4]triazin-2-yl...
How should Methyl 3-Oxo-4-Androsten-17-Carboxylate (CAS: 2681-55-2) be stored?
Methyl 3-Oxo-4-Androsten-17-Carboxylate (CAS: 2681-55-2) should be stored in a c...
What are the main uses of (R)-3-Amino-4-(3-hexylphenylamino)-4-oxobutylphosphonic acid (CAS: 909725-61-7)?
(R)-3-Amino-4-(3-hexylphenylamino)-4-oxobutylphosphonic acid is primarily used i...
What regulatory guidelines apply to 2-Methyl-2-propanyl 3-amino-3-carbamoyl-1-azetidinecarboxylate (CAS: 1254120-14-3)?
2-Methyl-2-propanyl 3-amino-3-carbamoyl-1-azetidinecarboxylate (CAS: 1254120-14-...
Are there alternatives to (E)-4-(tert-Butoxy)-4-oxobut-2-enoic acid (CAS: 135355-96-3) in synthesis?
There are alternative reagents that can be used in synthesis instead of (E)-4-(t...
What are the physical and chemical properties of [2-(3-Chlorophenyl)-1,3-thiazol-4-yl]methanol (CAS: 121202-20-8)?
[2-(3-Chlorophenyl)-1,3-thiazol-4-yl]methanol (CAS: 121202-20-8) is a crystallin...
What is the market or research trend for Methyl (2S)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]{[(4-methylphenyl)sulfonyl]oxy}acetate (CAS: 166249-17-8)?
The market and research trends for Methyl (2S)-[(4S)-2,2-dimethyl-1,3-dioxolan-4...
What is the market or research trend for 1-Bromo-2-isocyanatoethane (CAS: 42865-19-0)?
The market for 1-Bromo-2-isocyanatoethane (CAS: 42865-19-0) is driven by its use...
What are the main uses of 4-Nitro-D-phenylalanine hydrochloride (CAS: 147065-06-3)?
4-Nitro-D-phenylalanine hydrochloride (CAS: 147065-06-3) is primarily used in re...
Source Journal
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.
![(1R)-3-Bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one structure (1R)-3-Bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one structure](https://static.chemtradehub.com/structs/102/10293-06-8-dd8a.webp)



