Dopant-induced changes of local structures for adjusting the hydration ability of proton-conducting lanthanum scandates

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Dopant-induced changes of local structures for adjusting the hydration ability of proton-conducting lanthanum scandates. / Belyakov, Semyon; Lesnichyova, Alyona S.; Plekhanov, Maksim et al.
In: Journal of Materials Chemistry A, Vol. 11, No. 36, 2023, p. 19605-19618.

Research output: Contribution to journal › Article › peer-review

BibTeX

@article{7b27a2f71b054d74b28fdabd96f46a85,

title = "Dopant-induced changes of local structures for adjusting the hydration ability of proton-conducting lanthanum scandates",

abstract = "Despite the well-known increase in basicity in the CaO-SrO-BaO simple oxide series, acceptor doping in La0.95M0.05ScO3-& delta; (M = Ca, Sr, Ba) orthorhombically distorted perovskites demonstrates the opposite trend. In the Ca-Sr-Ba dopant series, the standard enthalpy of the hydration reaction decreases and the mobility of protons increases. At first glance, a decrease in the electronegativity of a dopant should lead to improved hydration. However, we show that the dopant-induced local distortions in the crystal structure and the electronic structure of the material influence the hydration the most. The greater depth of local levels in the band gap for polarons bound with an oxygen vacancy or an acceptor dopant reflects the greater energy of and OH & BULL; defect formation, while the shortest O-O interatomic distances determine better proton site stability, which jointly affects the hydration ability of the material. The combination of high proton stability and mobility leads to Sr as the optimal dopant for the operating conditions of proton-ceramic fuel cells (773-973 K). Dopant-induced local distortions in the crystal structure and the electronic structure influence the hydration of proton-conducting LaScO3-based perovskites.",

author = "Semyon Belyakov and Lesnichyova, {Alyona S.} and Maksim Plekhanov and Nils Prinz and Mirijam Zobel and Vokhmintsev, {Alexander S.} and Weinstein, {Ilya A.}",

note = "This work was carried out using the facilities of the Shared Research Center “Composition of compounds” at the Institute of High-temperature Electrochemistry UB RAS. PDF studies was supported by the German Academic Exchange Service (DAAD, 57507441; ref. 91775188) and by the BayHOST program (Mobilit{\"a}t MB-2020-1-24). A. S. L., A. S. V. and I. A. W. thank the Ministry of Science and Higher Education of the Russian Federation (project FEUZ-2023-0014) for financial support. The authors are grateful to A. Khodimchuk, N. Moskalenko and A. Farlenkov for help with experiments.",

year = "2023",

doi = "10.1039/D3TA03673A",

language = "English",

volume = "11",

pages = "19605--19618",

journal = "Journal of Materials Chemistry A",

issn = "2050-7488",

publisher = "Royal Society of Chemistry",

number = "36",

}

RIS

TY - JOUR

T1 - Dopant-induced changes of local structures for adjusting the hydration ability of proton-conducting lanthanum scandates

AU - Belyakov, Semyon

AU - Lesnichyova, Alyona S.

AU - Plekhanov, Maksim

AU - Prinz, Nils

AU - Zobel, Mirijam

AU - Vokhmintsev, Alexander S.

AU - Weinstein, Ilya A.

N1 - This work was carried out using the facilities of the Shared Research Center “Composition of compounds” at the Institute of High-temperature Electrochemistry UB RAS. PDF studies was supported by the German Academic Exchange Service (DAAD, 57507441; ref. 91775188) and by the BayHOST program (Mobilität MB-2020-1-24). A. S. L., A. S. V. and I. A. W. thank the Ministry of Science and Higher Education of the Russian Federation (project FEUZ-2023-0014) for financial support. The authors are grateful to A. Khodimchuk, N. Moskalenko and A. Farlenkov for help with experiments.

PY - 2023

Y1 - 2023

N2 - Despite the well-known increase in basicity in the CaO-SrO-BaO simple oxide series, acceptor doping in La0.95M0.05ScO3-& delta; (M = Ca, Sr, Ba) orthorhombically distorted perovskites demonstrates the opposite trend. In the Ca-Sr-Ba dopant series, the standard enthalpy of the hydration reaction decreases and the mobility of protons increases. At first glance, a decrease in the electronegativity of a dopant should lead to improved hydration. However, we show that the dopant-induced local distortions in the crystal structure and the electronic structure of the material influence the hydration the most. The greater depth of local levels in the band gap for polarons bound with an oxygen vacancy or an acceptor dopant reflects the greater energy of and OH & BULL; defect formation, while the shortest O-O interatomic distances determine better proton site stability, which jointly affects the hydration ability of the material. The combination of high proton stability and mobility leads to Sr as the optimal dopant for the operating conditions of proton-ceramic fuel cells (773-973 K). Dopant-induced local distortions in the crystal structure and the electronic structure influence the hydration of proton-conducting LaScO3-based perovskites.

AB - Despite the well-known increase in basicity in the CaO-SrO-BaO simple oxide series, acceptor doping in La0.95M0.05ScO3-& delta; (M = Ca, Sr, Ba) orthorhombically distorted perovskites demonstrates the opposite trend. In the Ca-Sr-Ba dopant series, the standard enthalpy of the hydration reaction decreases and the mobility of protons increases. At first glance, a decrease in the electronegativity of a dopant should lead to improved hydration. However, we show that the dopant-induced local distortions in the crystal structure and the electronic structure of the material influence the hydration the most. The greater depth of local levels in the band gap for polarons bound with an oxygen vacancy or an acceptor dopant reflects the greater energy of and OH & BULL; defect formation, while the shortest O-O interatomic distances determine better proton site stability, which jointly affects the hydration ability of the material. The combination of high proton stability and mobility leads to Sr as the optimal dopant for the operating conditions of proton-ceramic fuel cells (773-973 K). Dopant-induced local distortions in the crystal structure and the electronic structure influence the hydration of proton-conducting LaScO3-based perovskites.

UR - https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=tsmetrics&SrcApp=tsm_test&DestApp=WOS_CPL&DestLinkType=FullRecord&KeyUT=001056477600001

UR - http://www.scopus.com/inward/record.url?partnerID=8YFLogxK&scp=85170695485

U2 - 10.1039/D3TA03673A

DO - 10.1039/D3TA03673A

M3 - Article

VL - 11

SP - 19605

EP - 19618

JO - Journal of Materials Chemistry A

JF - Journal of Materials Chemistry A

SN - 2050-7488

IS - 36

ER -

ID: 46049701