journal article·2022-10

Unravelling the surface structure and active site of CaSnO3, as well as H2O2 formation mechanism in two electron water oxidation reaction

Bei Li, Jiaqi Li, Yi Rong, Yaxuan Tian, Jing Li, Xingchen Liu, Qinglan Hao, Botao Teng

Publisher page

Abstract

No abstract is available for this record. The assistant can identify its topic from the title, but cannot infer the study’s results.

Source: Not provided · Quality: missing

Research context

OpenAlex topics: Electronic and Structural Properties of Oxides · Catalytic Processes in Materials Science · Advanced Photocatalysis Techniques

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

References (53)

Show source-provided references
1. Heterogeneous interfacial engineering of Pd/TiO2 with controllable carbon content for improved direct synthesis efficiency of H2O210.1016/S1872-2067(19)63412-1 ↗
2. Comparing Methods for Quantifying Electrochemically Accumulated H2O210.1021/acs.chemmater.0c02010 ↗
3. Direct synthesis of hydrogen peroxide from hydrogen and oxygen: An overview of recent developments in the process10.1016/j.apcata.2008.07.043 ↗
4. Single atom hot-spots at Au-Pd nanoalloys for electrocatalytic H2O2 production10.1021/ja206477z ↗
5. Understanding activity trends in electrochemical water oxidation to form hydrogen peroxide10.1038/s41467-017-00585-6 ↗
6. Light-Driven BiVO4–C Fuel Cell with Simultaneous Production of H2O210.1002/aenm.201801158 ↗
7. Prospect of vapor phase catalytic H2O2 production by oxidation of water10.1016/S1872-2067(19)63327-9 ↗
8. Effective Hydrogen Peroxide Production from Electrochemical Water Oxidation10.1021/acsenergylett.1c00904 ↗
9. Enabling direct H2O2 production through rational electrocatalyst design10.1038/nmat3795 ↗
10. One- or Two-Electron Water Oxidation, Hydroxyl Radical, or H2O2 Evolution10.1021/acs.jpclett.6b02924 ↗
11. F. Haber, J. Weiss,The catalytic decomposition of hydrogen peroxide by iron salts, Proceedings of the Royal Society of London. Series A - Mathematical and Physical Sciences, 147 (1997) 332–351.10.1098/rspa.1934.0221 ↗
12. Decreased gas-diffusion electrode porosity due to increased electrocatalyst loading leads to diffusional limitations in cathodic H2O2 electrosynthesis10.1016/j.jpowsour.2020.228992 ↗
13. Development of a reactor with carbon catalysts for modular-scale, low-cost electrochemical generation of H2O2, React
14. The high performance mushroom-like Pd@SnO2/Ni foam electrode for H2O2 reduction in alkaline media10.1016/j.jpowsour.2018.05.056 ↗
15. UV/H2O2Treatment: A Practical Solution for Organic Contaminant Control and Primary Disinfection10.1080/01919510701459311 ↗
16. Hydrogen peroxide synthesis: an outlook beyond the anthraquinone process10.1002/anie.200503779 ↗
17. Electrocatalytic H2O2 generation for disinfection10.1016/S1872-2067(20)63781-0 ↗
18. ZnO nanoparticles embedded in hollow carbon fiber membrane for electrochemical H2O2 production by two-electron water oxidation reaction
19. Trifunctional Electrocatalysts with High Efficiency for the Oxygen Reduction Reaction, Oxygen Evolution Reaction, and Na-O2 Battery in Heteroatom-Doped Janus Monolayer MoSSe10.1021/acsami.0c06062 ↗
20. Trends in the electrochemical synthesis of H2O2: enhancing activity and selectivity by electrocatalytic site engineering10.1021/nl500037x ↗
21. Analysis of the limitations in the oxygen reduction activity of transition metal oxide surfaces10.1038/s41929-021-00618-w ↗
22. Electrochemical Synthesis of H2O2 by Two-Electron Water Oxidation Reaction10.1016/j.chempr.2020.09.013 ↗
23. Selectivity of cobalt-based catalysts towards hydrogen peroxide formation during the reduction of oxygen10.1016/j.cattod.2012.05.015 ↗
24. Electrocatalytic activity of LaNiO3 toward H2O2 reduction reaction: Minimization of oxygen evolution10.1016/j.jpowsour.2014.08.068 ↗
25. Facile approach to prepare porous CaSnO3 nanotubes via a single spinneret electrospinning technique as anodes for lithium ion batteries10.1021/am301664e ↗
26. A.A. Bhat, R. Tomar, Mn and Ce doping in hydrothermally derived CaSnO3 perovskite nanostructure. A facile way to enhance optical, magnetic and electrochemical properties, J. Alloy. Compd., 876 (2021) 160043.10.1016/j.jallcom.2021.160043 ↗
27. Selective and Efficient Gd-Doped BiVO4 Photoanode for Two-Electron Water Oxidation to H2O210.1021/acsenergylett.9b00277 ↗
28. J.M. Henriques, E.W.S. Caetano, V.N. Freire, J.A.P.d. Costa, E.L. Albuquerque, Structural, electronic, and optical absorption properties of orthorhombic CaSnO3 through ab-initio calculations, J. Phys. Condens. Mat., 19 (2007) 106214.10.1088/0953-8984/19/10/106214 ↗
29. High Yield Electrosynthesis of Hydrogen Peroxide from Water Using Electrospun CaSnO3@Carbon Fiber Membrane Catalysts with Abundant Oxygen Vacancy10.1002/adfm.202100099 ↗
30. Efficient Hydrogen Peroxide (H2O2) Synthesis by CaSnO3 via Two-Electron Water Oxidation Reaction10.1021/acssuschemeng.0c05449 ↗
31. CaSnO3: An Electrocatalyst for Two-Electron Water Oxidation Reaction to Form H2O210.1021/acsenergylett.8b02303 ↗
32. A quantum-mechanical investigation of oxygen vacancies and copper doping in the orthorhombic CaSnO3 perovskite10.1039/C8CP03481H ↗
33. Composition dependent intrinsic defect structures in ASnO3 (A = Ca, Sr, Ba)10.1016/j.jmst.2019.10.015 ↗
34. Vibrational and thermodynamic properties of orthorhombic CaSnO3 from DFT and DFPT calculations10.1016/j.jpcs.2014.09.016 ↗
35. Confined local oxygen gas promotes electrochemical water oxidation to hydrogen peroxide10.1038/s41929-019-0402-8 ↗
36. The Role of Bicarbonate-Based Electrolytes in H2O2 Production through Two-Electron Water Oxidation10.1021/acsenergylett.1c01264 ↗
37. Ab-initio simulations of materials using VASP: Density-functional theory and beyond10.1002/jcc.21057 ↗
38. Ab initio molecular-dynamics simulation of the liquid-metal-amorphous-semiconductor transition in germanium10.1103/PhysRevB.49.14251 ↗
39. John P. Perdew, Kieron Burke, M. Ernzerhof, Generalized Gradient Approximation Made Simple, Phys. Rev. Lett., (1996) 77, 3865–3868.10.1103/PhysRevLett.77.3865 ↗
40. Projector augmented-wave method10.1103/PhysRevB.50.17953 ↗
41. Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points10.1063/1.1323224 ↗
42. “Special points for Brillouin-zone integrations“—a reply10.1103/PhysRevB.16.1748 ↗
43. Stability and electronic structure of MgAl2O4(1 1 1) surfaces: A first-principles study10.1016/j.commatsci.2015.09.035 ↗
44. Periodic Slab LAPW Computations for Ferroelectric BaTiO3
45. First-principles study on electronic structure of the (001) surface of SrTiO310.1103/PhysRevB.51.11049 ↗
46. Composition, structure, and stability of RuO2(110)as a function of oxygen pressure10.1103/PhysRevB.65.035406 ↗
47. FeS2-anchored transition metal single atoms for highly efficient overall water splitting: a DFT computational screening study10.1039/D0TA09903A ↗
48. Computational screening of efficient graphene-supported transition metal single atom catalysts toward the oxygen reduction reaction10.1039/D0TA06892F ↗
49. Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways10.1063/1.4865107 ↗
50. Accuracy of exchange-correlation functionals and effect of solvation on the surface energy of copper10.1103/PhysRevB.87.245402 ↗
51. Computational screening of transition-metal single atom doped C9N4 monolayers as efficient electrocatalysts for water splitting10.1039/C9NR05991A ↗
52. Graphyne doped with transition-metal single atoms as effective bifunctional electrocatalysts for water splitting10.1016/j.apsusc.2019.06.050 ↗
53. Identifying Metallic Transition-Metal Dichalcogenides for Hydrogen Evolution through Multilevel High-Throughput Calculations and Machine Learning10.1021/acs.jpclett.0c03839 ↗