Recent advances in the data-driven development of emerging electrocatalysts
Source abstract
Abstract
202406 bcch ; Others ; The Hong Kong Polytechnic University ; Published ; 24 months ; Green (AAM)
The source flagged this abstract for review. Check formulas and completeness against the original publication.
Source: openaire · Quality: needs review · Source record ↗
Source flags: short_text
Source flags: short_text
Research context
OpenAlex topics: Machine Learning in Materials Science · Electrocatalysts for Energy Conversion · CO2 Reduction Techniques and Catalysts
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (62)
Show source-provided references
1. Overview of green energy as a real strategic option for sustainable development10.3390/en15228573 ↗
2. Recent progress on earth abundant electrocatalysts for hydrogen evolution reaction (HER) in alkaline medium to achieve efficient water splitting - a review
3. Stability and deactivation of OER electrocatalysts: a review
4. Selectivity in electrochemical CO(2)reduction10.1021/acs.accounts.1c00678 ↗
5. Exploration and investigation of periodic elements for electrocatalytic nitrogen reduction10.1002/smll.202002885 ↗
6. Guiding CO2RR selectivity by compositional tuning in the electrochemical double layer published as part of the accounts of chemical research special issue "CO2 reductions via photo and electrochemical processes"10.1021/acs.accounts.1c00680 ↗
7. Mapping hydrogen evolution activity trends of intermetallic Pt-group silicides10.1021/acscatal.1c05175 ↗
8. Rational design strategies of Cu-based electrocatalysts for CO2 electroreduction to C-2 products
9. Iridium-containing water-oxidation catalysts in acidic electrolyte10.1016/S1872-2067(20)63722-6 ↗
10. Facile, general and environmental-friendly fabrication of O/N-codoped porous carbon as a universal matrix for efficient hydrogen evolution electrocatalysts10.1016/j.cej.2021.130483 ↗
11. Advances in engineering RuO2 electrocatalysts towards oxygen evolution reaction10.1016/j.cclet.2020.11.051 ↗
12. Single-atom catalysts for electrocatalytic applications
13. Toward excellence of electrocatalyst design by emerging descriptor-oriented machine learning
14. Data-driven design of electrocatalysts: principle, progress, and perspective. Journal of Materials Chemistry A
15. A single-atom library for guided monometallic and concentration-complex multimetallic designs. Nat Mater
16. High-entropy nanoparticles: synthesis-structure-property relationships and data-driven discovery10.1126/science.abn3103 ↗
17. Searching novel complex solid solution electrocatalysts in unconventional element combinations10.1007/s12274-021-3637-z ↗
18. High throughput screening driven discovery of Mn5Co10Fe30Ni55Ox as electrocatalyst for water oxidation and electrospinning synthesis10.1016/j.apsusc.2022.152959 ↗
19. Lattice strain and Schottky junction dual regulation boosts ultrafine ruthenium nanoparticles anchored on a N-modified carbon catalyst for H(2) production10.1021/jacs.2c09613 ↗
20. Rapid joule-heating synthesis for manufacturing high-entropy oxides as efficient electrocatalysts10.1021/acs.nanolett.2c01147 ↗
21. Building a library for catalysts research using high-throughput approaches
22. Single-atom catalysts across the periodic table10.1021/acs.chemrev.0c00576 ↗
23. High-throughput exploration of activity and stability for identifying photoelectrochemical water splitting materials10.1039/D2SC05115J ↗
24. Automated high-throughput activity and stability screening of electrocatalysts
25. Calibrating SECCM measurements by means of a nanoelectrode ruler. The intrinsic oxygen reduction activity of PtNi catalyst nanoparticles10.1007/s12274-021-3702-7 ↗
26. Reorganization energy in a polybromide ionic liquid measured by scanning electrochemical cell microscopy
27. Scanning electrochemical cell microscopy: a natural technique for single entity electrochemistry. Current Opinion in Electrochemistry
28. Exploring the strain effect in single particle electrochemistry using Pd nanocrystals
29. Reactive sputtered Ir1-yNiyOx electrocatalysts for the oxygen evolution reaction in alkaline media10.1149/1945-7111/ac7adc ↗
30. Choice-AutoEIS: automated bayesian model selection and analysis for electrochemical impedance spectroscopy10.1149/1945-7111/aceab2 ↗
31. High-throughput identification of highly active and selective single-atom catalysts for electrochemical ammonia synthesis through nitrate reduction
32. High-throughput screening of carbon-supported single metal atom catalysts for oxygen reduction reaction10.1007/s12274-021-3598-2 ↗
33. High-throughput computational-experimental screening protocol for the discovery of bimetallic catalysts10.1038/s41524-021-00605-6 ↗
34. High-throughput screening of a single-atom alloy for electroreduction of dinitrogen to ammonia10.1021/acsami.1c01098 ↗
35. High-throughput identification of exfoliable two-dimensional materials with active basal planes for hydrogen evolution10.1021/acsenergylett.0c00957 ↗
36. Emerging strategies for CO2 photoreduction to CH4: from experimental to data-driven design
37. Dual transition metal atoms embedded in N-doped graphene for electrochemical nitrogen fixation under ambient conditions. Journal of Materials Chemistry A
38. Design of single atom catalysts
39. Reaction mechanisms, kinetics, and improved catalysts forAmmonia synthesis from hierarchical high throughput CatalystDesign10.1021/acs.accounts.1c00789 ↗
40. Efficient modulation of the catalytic performance of electrocatalytic nitrogen reduction with transition metals anchored on N/O-codoped graphene by coordination engineering10.1039/D1TA08877G ↗
41. Unveiling the underlying mechanism of nitrogen fixation by a new class of electrocatalysts two-dimensional TM@g-C4N3 monosheets10.1016/j.apsusc.2021.151839 ↗
42. A universal screening strategy for the accelerated design of superior oxygen evolution/reduction electrocatalysts10.1039/D0TA02425B ↗
43. High-throughput screening of highly active and selective single-atom catalysts for ammonia synthesis on WB2(001) surface10.1016/j.apsusc.2022.154935 ↗
44. A general two-step strategy-based high-throughput screening of single atom catalysts for nitrogen fixation10.1002/smtd.201800376 ↗
45. Exploring fuel cell cathode materials using ab initio high throughput calculations and validation using carbon supported Pt alloy catalysts. Physical Chemistry Chemical Physics
46. High-throughput computational screening of metal–organic Frameworks as high-performance electrocatalysts for CO2RR10.1021/acscatal.2c05155 ↗
47. Catalytic activity and stability of two-dimensional materials for the hydrogen evolution reaction10.1021/acsenergylett.9b02689 ↗
48. New developments in the Inorganic Crystal Structure Database (ICSD): accessibility in support of materials research and design10.1107/S0108768102006948 ↗
49. Commentary: the Materials Project: a materials genome approach to accelerating materials innovation10.1063/1.4812323 ↗
50. Materials design and discovery with high-throughput density functional theory: the open Quantum materials database (OQMD)10.1007/s11837-013-0755-4 ↗
51. AFLOW: an automatic framework for high-throughput materials discovery10.1016/j.commatsci.2012.02.005 ↗
52. 2DMatPedia, an open computational database of two-dimensional materials from top-down and bottom-up approaches10.1038/s41597-019-0097-3 ↗
53. Reproducibility in density functional theory calculations of solids10.1126/science.aad3000 ↗
54. Two-dimensional materials from high-throughput computational exfoliation of experimentally known compounds10.1038/s41565-017-0035-5 ↗
55. Data-driven high-throughput rational design of double-atom catalysts for oxygen evolution and reduction
56. High-entropy alloys as a discovery platform for electrocatalysis10.1016/j.joule.2018.12.015 ↗
57. Accelerated discovery of CO2 electrocatalysts using active machine learning10.1038/s41586-020-2242-8 ↗
58. Adaptive learning-driven high-throughput synthesis of oxygen reduction reaction Fe-N-C electrocatalysts10.1016/j.jpowsour.2022.232583 ↗
59. High-entropy alloy catalysts: fundamental aspects, promises towards electrochemical NH3 production, and lessons to learn from deep neural networks10.1016/j.nanoen.2022.108027 ↗
60. Scalable two-step annealing method for preparing ultra-high-density single-atom catalyst libraries10.1038/s41565-021-01022-y ↗
61. Open catalyst 2020 (OC20) dataset and community challenges10.1021/acscatal.0c04525 ↗
62. Scientific discovery in the age of artificial intelligence10.1038/s41586-023-06221-2 ↗