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The electronic properties of bipyridine were tuned by its substitution with electron donating and electron withdrawing functional groups to regulate the degradation modulators interaction with different ions and the effect on the corrosion inhibition of pure Mg was predicted based on density functional theory calculations. Bipyridine and two of its derivatives were subsequently investigated experimentally to validate the trend predicted by the quantum chemical calculations.<\/jats:p>","DOI":"10.5006\/3597","type":"journal-article","created":{"date-parts":[[2020,7,28]],"date-time":"2020-07-28T04:18:30Z","timestamp":1595909910000},"page":"204-208","source":"Crossref","is-referenced-by-count":12,"title":["Rational Design of Effective Mg Degradation Modulators"],"prefix":"10.5006","volume":"77","author":[{"given":"C.","family":"Feiler","sequence":"first","affiliation":[{"name":"*Magnesium Innovation Centre - MagIC, Institute of Materials Research, Helmholtz-Zentrum Geesthacht, Geesthacht, Germany 21502."}]},{"given":"D.","family":"Mei","sequence":"additional","affiliation":[{"name":"*Magnesium Innovation Centre - MagIC, Institute of Materials Research, Helmholtz-Zentrum Geesthacht, Geesthacht, Germany 21502."}]},{"given":"B.J.C.","family":"Luthringer-Feyerabend","sequence":"additional","affiliation":[{"name":"*Magnesium Innovation Centre - MagIC, Institute of Materials Research, Helmholtz-Zentrum Geesthacht, Geesthacht, Germany 21502."},{"name":"**Institute for Materials Science, Faculty of Engineering, Kiel University, Kiel, Germany 24143."}]},{"given":"S.V.","family":"Lamaka","sequence":"additional","affiliation":[{"name":"*Magnesium Innovation Centre - MagIC, Institute of Materials Research, Helmholtz-Zentrum Geesthacht, Geesthacht, Germany 21502."}]},{"given":"M.L.","family":"Zheludkevich","sequence":"additional","affiliation":[{"name":"*Magnesium Innovation Centre - MagIC, Institute of Materials Research, Helmholtz-Zentrum Geesthacht, Geesthacht, Germany 21502."},{"name":"**Institute for Materials Science, Faculty of Engineering, Kiel University, Kiel, Germany 24143."}]}],"member":"2917","published-online":{"date-parts":[[2020,7,27]]},"reference":[{"key":"2025031811011377700_i0010-9312-77-2-3597-r1","doi-asserted-by":"crossref","first-page":"107","DOI":"10.1016\/j.scriptamat.2016.07.035","volume":"128","author":"Joost","year":"2017","journal-title":"Scr. 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