{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,5]],"date-time":"2026-07-05T04:16:40Z","timestamp":1783225000721,"version":"3.54.6"},"reference-count":57,"publisher":"MDPI AG","issue":"8","license":[{"start":{"date-parts":[[2025,4,10]],"date-time":"2025-04-10T00:00:00Z","timestamp":1744243200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"Shanghai Sailing Program","award":["23YF1455900"],"award-info":[{"award-number":["23YF1455900"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Materials"],"abstract":"<jats:p>Copper interconnect technology faces limitations due to the electron\u2019s mean free path and electromigration, driving the adoption of cobalt alternatives. This study proposes a novel mechanism to achieve superfilling by tuning the adsorption energy of additive molecules on cobalt surfaces. The adsorption energies of additives are tailored by changing molecular structures with different functional groups. Computational results reveal that carbon\u2013carbon triple bonds critically strengthen adsorption, while ether bonds further enhance binding on distinct cobalt crystallographic planes. Specifically, 1,4-bis(2-hydroxyethoxy)-2-butyne (BEO) containing both triple bonds and ether groups exhibits the highest adsorption energy (\u221222.62 eV). Replacing ether with hydroxyl groups in 2-butyne-1,4-diol (BOZ) reduces the adsorption energy to \u221210.39 eV, while eliminating triple bonds in 1,4-butanediol diglycidyl ether (BDE) further decreases it to \u22128.43 eV. Experimental studies demonstrate that BOZ and BEO preferentially adsorb on the (101) and (110) planes of hexagonal close-packed cobalt (HCP-Co) due to their differential adsorption energies. This selective suppression promotes preferential growth along the densely packed (002) orientation. This leads to a trench-filling process dominated by the most densely packed plane, resulting in better electrical performance. Superfilling is achieved when molecular adsorption energies are in the range of 5\u20138 eV. The work establishes a functional group design strategy to regulate additive adsorption, enabling crystallographic control for advanced cobalt electrodeposition processes.<\/jats:p>","DOI":"10.3390\/ma18081747","type":"journal-article","created":{"date-parts":[[2025,4,10]],"date-time":"2025-04-10T12:49:01Z","timestamp":1744289341000},"page":"1747","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":3,"title":["Superconformal Electrodeposition of Cobalt into Micron-Scale Trench with Alkynol Derivatives"],"prefix":"10.3390","volume":"18","author":[{"given":"Wei","family":"Xu","sequence":"first","affiliation":[{"name":"School of Materials and Chemistry, University of Shanghai for Science and Technology, Shanghai 200093, China"},{"name":"National Key Laboratory of Materials for Integrated Circuits, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai 200050, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yedi","family":"Li","sequence":"additional","affiliation":[{"name":"National Key Laboratory of Materials for Integrated Circuits, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai 200050, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Tingjun","family":"Wu","sequence":"additional","affiliation":[{"name":"School of Materials and Chemistry, University of Shanghai for Science and Technology, Shanghai 200093, China"},{"name":"National Key Laboratory of Materials for Integrated Circuits, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai 200050, China"},{"name":"College of Materials Science and Opto-Electronic Technology, University of Chinese Academy of Sciences, Beijing 100049, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yu","family":"Duan","sequence":"additional","affiliation":[{"name":"School of Materials and Chemistry, University of Shanghai for Science and Technology, Shanghai 200093, China"},{"name":"National Key Laboratory of Materials for Integrated Circuits, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai 200050, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Lei","family":"Zhu","sequence":"additional","affiliation":[{"name":"National Key Laboratory of Materials for Integrated Circuits, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai 200050, China"},{"name":"College of Materials Science and Opto-Electronic Technology, University of Chinese Academy of Sciences, Beijing 100049, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Qiang","family":"Liu","sequence":"additional","affiliation":[{"name":"National Key Laboratory of Materials for Integrated Circuits, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai 200050, China"},{"name":"College of Materials Science and Opto-Electronic Technology, University of Chinese Academy of Sciences, Beijing 100049, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yiying","family":"Wang","sequence":"additional","affiliation":[{"name":"National Key Laboratory of Materials for Integrated Circuits, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai 200050, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Wenjie","family":"Yu","sequence":"additional","affiliation":[{"name":"School of Materials and Chemistry, University of Shanghai for Science and Technology, Shanghai 200093, China"},{"name":"National Key Laboratory of Materials for Integrated Circuits, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai 200050, China"},{"name":"College of Materials Science and Opto-Electronic Technology, University of Chinese Academy of Sciences, Beijing 100049, China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2025,4,10]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"053402","DOI":"10.1116\/6.0000170","article-title":"Role of High Aspect-Ratio Thin-Film Metal Deposition in Cu Back-End-of-Line Technology","volume":"38","author":"Simon","year":"2020","journal-title":"J. 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