Downward Band Bending as an Efficient Strategy to Accelerate Oxygen Exchange Kinetics in Mixed Conducting Oxides Studies on Different Oriented LSCF Thin Films

Qiu, Bingbing1,2; Yang, Yi1,2; Xue, Shuangshuang1,2; Zhu, Kang1,2; Wang, Lenan1,2; Shi, Nai1,2; Hu, Xueyu1,2; Xia, Changrong1,2; Peng, Ranran1,2,3,4; Huang, Haoliang3,4,5; Lu, Yalin1,2,3,4

2023-07-01

10.1021/acs.jpcc.3c02563

JOURNAL OF PHYSICAL CHEMISTRY C   影响因子和分区

1932-7447

1932-7455

Sr segregation, generally observed in Sr-based perovskites,hasbeen found to demonstrate great yet puzzling impacts on oxygen surfaceexchange reaction rates of mixed ionic-electronic conductors(MIECs). In this work, (100)-, (110)- and (111)-oriented La0.6Sr0.4Co0.2Fe0.8O3-& delta; (LSCF) surfaces are first adopted to theoretically and experimentallyinvestigate the effects of Sr segregation, namely, SrCO3, on their catalytic activity toward the oxygen surface exchangereaction. Density functional theory (DFT) calculations show that SrCO3 clusters have very positive effects on LSCF (100) and (111)surfaces and vast negative effects on the LSCF (110) surface, whichmakes the reaction energy barriers change from LSCF(110) < LSCF(111)< LSCF(100) to LSCF(111)-SrCO3 < LSCF(100)-SrCO3 < LSCF(110)-SrCO3. The greatly promoted oxygenexchange kinetics of LSCF (100) and (111) surfaces should arouse fromtheir downward band bending in the presence of SrCO3, whichroots in their relatively higher work functions than that of the SrCO3 cluster and brings forth electron accumulation. Electricalconductivity relaxation (ECR) results verify much-improved oxygensurface exchange rates on the two films. Our findings present an efficientstrategy to accelerate oxygen surface exchange reaction kinetics onMIECs by adopting a second phase to trigger downward band bending.

SCI ; EI

英语

通讯

National Key Ramp;D Program of China[2021YFB4001401] ; National Natural Science Foundation of China[52272247]

Chemistry ; Science & Technology - Other Topics ; Materials Science

Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary

WOS:001026979300001

AMER CHEMICAL SOC

20233114455223

Catalyst activity ; Conductive films ; Density functional theory ; Ion exchange membranes ; Kinetics ; Oxygen ; Perovskite ; Reaction rates ; Strontium ; Strontium compounds ; Surface reactions ; Surface segregation

Minerals:482.2 ; Alkaline Earth Metals:549.2 ; Fluid Flow, General:631.1 ; Conducting Materials:708.2 ; Chemical Plants and Equipment:802.1 ; Chemical Reactions:802.2 ; Chemical Agents and Basic Industrial Chemicals:803 ; Chemical Products Generally:804 ; Probability Theory:922.1 ; Classical Physics; Quantum Theory; Relativity:931 ; Atomic and Molecular Physics:931.3 ; Quantum Theory; Quantum Mechanics:931.4

Web of Science

1.Univ Sci & Technol China, Dept Mat Sci & Engn, CAS Key Lab Mat Energy Convers, Hefei 230023, Anhui, Peoples R China
2.Univ Sci & Technol China, Collaborat Innovat Ctr Suzhou Nano Sci & Technol, Hefei 230023, Anhui, Peoples R China
3.Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Peoples R China
4.Univ Sci & Technol China, Synerget Innovat Ctr Quantum Informat & Quantum Ph, Anhui Lab Adv Photon Sci & Technol, Hefei 230026, Peoples R China
5.Southern Univ Sci & Technol, Dept Phys, Shenzhen 518055, Guangdong, Peoples R China

Qiu, Bingbing,Yang, Yi,Xue, Shuangshuang,et al. Downward Band Bending as an Efficient Strategy to Accelerate Oxygen Exchange Kinetics in Mixed Conducting Oxides &#xe5f8;Studies on Different Oriented LSCF Thin Films[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2023,127(29):14476-14485.

Qiu, Bingbing.,Yang, Yi.,Xue, Shuangshuang.,Zhu, Kang.,Wang, Lenan.,...&Lu, Yalin.(2023).Downward Band Bending as an Efficient Strategy to Accelerate Oxygen Exchange Kinetics in Mixed Conducting Oxides Studies on Different Oriented LSCF Thin Films.JOURNAL OF PHYSICAL CHEMISTRY C,127(29),14476-14485.

Qiu, Bingbing,et al."Downward Band Bending as an Efficient Strategy to Accelerate Oxygen Exchange Kinetics in Mixed Conducting Oxides Studies on Different Oriented LSCF Thin Films".JOURNAL OF PHYSICAL CHEMISTRY C 127.29(2023):14476-14485.