{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,23]],"date-time":"2026-10-23T19:46:10Z","timestamp":1792784770999,"version":"4.5.0"},"reference-count":25,"publisher":"American Chemical Society (ACS)","issue":"38","license":[{"start":{"date-parts":[[2026,9,17]],"date-time":"2026-09-17T00:00:00Z","timestamp":1789603200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by-nc-nd\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100012245","name":"Science and Technology Planning Project of Guangdong Province","doi-asserted-by":"publisher","award":["2025B0101100002"],"award-info":[{"award-number":["2025B0101100002"]}],"id":[{"id":"10.13039\/501100012245","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100007166","name":"Jiangsu Provincial Department of Education","doi-asserted-by":"publisher","award":["KYCX21_3353"],"award-info":[{"award-number":["KYCX21_3353"]}],"id":[{"id":"10.13039\/501100007166","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100002858","name":"China Postdoctoral Science Foundation","doi-asserted-by":"publisher","award":["2025M770617"],"award-info":[{"award-number":["2025M770617"]}],"id":[{"id":"10.13039\/501100002858","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004608","name":"Natural Science Foundation of Jiangsu Province","doi-asserted-by":"publisher","award":["BK20250850"],"award-info":[{"award-number":["BK20250850"]}],"id":[{"id":"10.13039\/501100004608","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["22579115"],"award-info":[{"award-number":["22579115"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["52572248"],"award-info":[{"award-number":["52572248"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100017610","name":"Shenzhen Science and Technology Innovation Program","doi-asserted-by":"publisher","award":["JCYJ20250604182005007"],"award-info":[{"award-number":["JCYJ20250604182005007"]}],"id":[{"id":"10.13039\/501100017610","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100017610","name":"Shenzhen Science and Technology Innovation Program","doi-asserted-by":"publisher","award":["SGCX20250526142404006"],"award-info":[{"award-number":["SGCX20250526142404006"]}],"id":[{"id":"10.13039\/501100017610","id-type":"DOI","asserted-by":"publisher"}]},{"name":"Guangdong Provincial Key Laboratory of Deep Earth Sciences and Geothermal Energy Exploitation and Utilization","award":["DESGEEU-2025-03"],"award-info":[{"award-number":["DESGEEU-2025-03"]}]},{"name":"Shenzhen Science and Technology Innovation Commission","award":["KCXST20221021111601003"],"award-info":[{"award-number":["KCXST20221021111601003"]}],"id":[{"id":"https:\/\/ror.org\/017n8df75","id-type":"ROR","asserted-by":"crossref"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2026,9,29]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>The production of green hydrogen via proton exchange membrane water electrolysis (PEMWE) is significantly constrained by mass transport limitations at the anode, where oxygen bubble evolution obstructs catalyst sites and compromises performance at high current densities. Conventional models fail to capture the nanoscale interplay between bubble dynamics and local electrochemical reactions, thereby obscuring critical design principles for nanostructural optimization. To address this, we developed a nanoscale multiphysics framework using the Lattice Boltzmann Method to directly couple bubble dynamics with electrochemistry. We investigated how key structural parameters\u2013including IrO2 particle and TiC support radii, IrO2 volume fraction, and ionomer thickness\u2013govern system behavior in a representative nanoscale domain. Our simulations identified two decisive factors within this single-particle-scale framework. First, increasing the TiC support radius to 11 nm improves local mass transport and gives the highest simulated current response among the tested cases, despite a reduction in effective active-site density. Second, ionomer thickness controls stability over the simulated time window: thin layers (3 nm) lead to rapid performance degradation through vigorous bubble growth and pore blockage, whereas thicker coatings (5 nm) suppress bubble nucleation through reactant starvation. These results provide nanoscale mechanistic guidance for catalyst-layer design, but they should be upscaled to representative elementary volumes before being interpreted as electrode-level design rules.<\/jats:p>","DOI":"10.1021\/acsomega.6c04830","type":"journal-article","created":{"date-parts":[[2026,9,18]],"date-time":"2026-09-18T04:01:13Z","timestamp":1789704073000},"page":"57139-57152","source":"Crossref","is-referenced-by-count":0,"title":["Nanoscale Oxygen\nBubble Dynamics and Coupled Transport\nat Anode Catalyst Layer Particle Surfaces in PEM Water Electrolysis"],"prefix":"10.1021","volume":"11","author":[{"ORCID":"https:\/\/orcid.org\/0009-0002-7328-5599","authenticated-orcid":true,"given":"Sheng","family":"Xu","sequence":"first","affiliation":[{"name":"Jiangsu University , , 301 Xuefu Road , ,","place":["Zhenjiang, China, 212013"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Wenxi","family":"Shen","sequence":"additional","affiliation":[{"name":"Jiangsu University , , 301 Xuefu Road , ,","place":["Zhenjiang, China, 212013"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Li","family":"Xin","sequence":"additional","affiliation":[{"name":"Jiangsu University , , 301 Xuefu Road , ,","place":["Zhenjiang, China, 212013"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xin","family":"Chen","sequence":"additional","affiliation":[{"name":"Jiangsu University , , 301 Xuefu Road , ,","place":["Zhenjiang, China, 212013"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5543-0815","authenticated-orcid":true,"given":"Fuxiang","family":"Huang","sequence":"additional","affiliation":[{"name":"Jiangsu University , , 301 Xuefu Road , ,","place":["Zhenjiang, China, 212013"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Senran","family":"Hao","sequence":"additional","affiliation":[{"name":"Shenzhen University , , 3688 Nanhai Avenue , ,","place":["Shenzhen, China, 518060"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Bin","family":"Chen","sequence":"additional","affiliation":[{"name":"Shenzhen University , , 3688 Nanhai Avenue , ,","place":["Shenzhen, China, 518060"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,9,17]]},"reference":[{"issue":"3","key":"2026092911110617900_cit1","doi-asserted-by":"publisher","first-page":"100037","DOI":"10.1016\/j.enrev.2023.100037","article-title":"Brief review of hydrocarbon-reforming\ncatalysts map for hydrogen production[J]","volume":"2","author":"Guo","year":"2023","journal-title":"Energy\nReviews"},{"key":"2026092911110617900_cit2","doi-asserted-by":"publisher","first-page":"100046","DOI":"10.1016\/j.decarb.2024.100046","article-title":"Filter paper as electrolyte flow transport using vaporized methanol\nas fuel in a microfluidic fuel cell: experimental and numerical simulation[J]","volume":"4","author":"Moreno-Zuria","year":"2024","journal-title":"DeCarbon"},{"issue":"1","key":"2026092911110617900_cit3","doi-asserted-by":"publisher","first-page":"21","DOI":"10.1007\/s43979-022-00022-8","article-title":"PEM water electrolysis for hydrogen production: fundamentals,\nadvances, and prospects[J]","volume":"1","author":"Wang","year":"2022","journal-title":"Carbon Neutrality"},{"key":"2026092911110617900_cit4","doi-asserted-by":"publisher","first-page":"100091","DOI":"10.1016\/j.decarb.2024.100091","article-title":"Atomically dispersed\nmetal site materials for hydrogen energy utilization: Theoretical\nand experimental study in fuel cells and water electrolysis[J]","volume":"7","author":"Zhan","year":"2025","journal-title":"DeCarbon"},{"key":"2026092911110617900_cit5","doi-asserted-by":"publisher","first-page":"2500861","DOI":"10.1002\/adfm.202500861","article-title":"Dynamic Reconstruction\nof Ce-Doped Fe2P\/NiCoP Hybrid for Ampere-Level Oxygen Evolution in\nAnion Exchange Membrane Water Electrolysis[J]","volume":"35","author":"Zhang","year":"2025","journal-title":"Adv. Funct. Mater."},{"issue":"5","key":"2026092911110617900_cit6","doi-asserted-by":"publisher","first-page":"3712","DOI":"10.1021\/acscatal.3c06243","article-title":"Integrating atomically dispersed ir sites in\nMnCo2O4. 5 for highly stable acidic oxygen evolution reaction[J]","volume":"14","author":"Hua","year":"2024","journal-title":"ACS Catal."},{"key":"2026092911110617900_cit7","doi-asserted-by":"publisher","first-page":"101075","DOI":"10.1016\/j.pecs.2023.101075","article-title":"Bubble evolution and\ntransport in PEM water electrolysis: Mechanism, impact, and management[J]","volume":"96","author":"Yuan","year":"2023","journal-title":"Progress in Energy and Combustion Science"},{"key":"2026092911110617900_cit8","doi-asserted-by":"publisher","first-page":"125552","DOI":"10.1016\/j.ijheatmasstransfer.2024.125552","article-title":"Discovery\nof bubble\naccumulation behavior in catalyst layer of proton exchange membrane\nwater electrolyzer[J]","volume":"227","author":"Yuan","year":"2024","journal-title":"International Journal\nof Heat and Mass Transfer"},{"key":"2026092911110617900_cit9","doi-asserted-by":"publisher","first-page":"124117","DOI":"10.1016\/j.renene.2025.124117","article-title":"Mechanism of hydrogen bubble behavior at different\nreaction stages of high-current PEMWE during pulsed dynamic electrolysis[J]","volume":"256","author":"Zhang","year":"2026","journal-title":"Renewable Energy"},{"key":"2026092911110617900_cit10","doi-asserted-by":"publisher","first-page":"124194","DOI":"10.1016\/j.renene.2025.124194","article-title":"Effects of oxygen bubble formation in the porous\ntransport layer on the performance of polymer-electrolyte-membrane\nwater electrolyzer[J]","volume":"256","author":"Kim","year":"2026","journal-title":"Renewable Energy"},{"key":"2026092911110617900_cit11","doi-asserted-by":"publisher","first-page":"131112","DOI":"10.1016\/j.fuel.2024.131112","article-title":"Revealing anodic multi-class\nbubble dynamics in PEMWE systems using deep learning and post-processing\ndetection[J]","volume":"364","author":"Sinapan","year":"2024","journal-title":"Fuel"},{"key":"2026092911110617900_cit12","doi-asserted-by":"publisher","first-page":"688","DOI":"10.1016\/j.ijhydene.2024.09.145","article-title":"Numerical analysis of bubble behavior\nin proton exchange membrane\nwater electrolyzer flow field with serpentine channel[J]","volume":"88","author":"Dang","year":"2024","journal-title":"International Journal of Hydrogen Energy"},{"key":"2026092911110617900_cit13","doi-asserted-by":"publisher","first-page":"236959","DOI":"10.1016\/j.jpowsour.2025.236959","article-title":"LBM studies\non oxygen bubble transport in porous transport\nlayers and flow channel of proton exchange membrane water electrolyzers[J]","volume":"642","author":"Ding","year":"2025","journal-title":"J. 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PEM water electrolysis[J]","volume":"530","author":"Wang","year":"2025","journal-title":"Electrochimica Acta"},{"key":"2026092911110617900_cit17","doi-asserted-by":"publisher","first-page":"124249","DOI":"10.1016\/j.ijheatmasstransfer.2023.124249","article-title":"Bubble management in\nPEM water electrolysis via imprinting patterned grooves on catalyst\nlayer[J]","volume":"212","author":"Yuan","year":"2023","journal-title":"International Journal of Heat and\nMass Transfer"},{"key":"2026092911110617900_cit18","doi-asserted-by":"publisher","first-page":"125552","DOI":"10.1016\/j.ijheatmasstransfer.2024.125552","article-title":"Discovery of bubble\naccumulation behavior in catalyst layer of proton exchange membrane\nwater electrolyzer[J]","volume":"227","author":"Yuan","year":"2024","journal-title":"International Journal\nof Heat and Mass 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layer of proton exchange membrane fuel cells during direct\ncold start[J]","volume":"178","author":"Xu","year":"2026","journal-title":"International Communications\nin Heat and Mass Transfer"},{"key":"2026092911110617900_cit22","doi-asserted-by":"publisher","first-page":"9395","DOI":"10.1007\/s11581-025-06527-3","article-title":"Nanoscale modeling of\nfrosting process in catalyst layer of PEM fuel cells[J]","volume":"31","author":"Xu","year":"2025","journal-title":"Ionics"},{"key":"2026092911110617900_cit23","doi-asserted-by":"publisher","first-page":"153035","DOI":"10.1016\/j.cej.2024.153035","article-title":"Mesoscopic\nprocess of multiphase\nreactive flow and heat transfer during direct cold start process in\nPt\/C particle coated in ionomer of PEMFC[J]","volume":"494","author":"Xu","year":"2024","journal-title":"Chemical Engineering 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