journal article·2026-05Open access

Mo doping fine-tune electronic structure of FCC Fe-based medium-entropy alloys to synergy strength-ductility and corrosion resistance

Hongyan Wang, Zhimin Yang, Xuejun Lv, Fei Ding, Lijun Jia, Xiaoqin Guo, Yang Gao, Zhenhua Han, Lilin Wang, Ran Wei

Abstract

Developing high strength, high ductility and corrosion resistant high- and medium-entropy alloys (H/MEAs) is a current research hotspot, which is primarily sourced from Ni/Co-rich H/MEAs and expensive. In this study, cost-effective (Fe 62 Co 8 Ni 15 Cr 15 ) 100-x Mo x (x = 0, 2, and 3 at.%) Fe-based MEAs were designed. The experimental results show that Mo doping leads to a better strength-ductility balance and improves the corrosion resistance. The (Fe 62 Co 8 Ni 15 Cr 15 ) 97 Mo 3 MEA shows excellent mechanical properties (600 MPa yield strength and 26% uniform elongation at 298 K; 990 MPa and 42% at 77 K) and corrosion-resistance (pitting potential ∼ 0.83V in 3.5 wt% NaCl solution), outperforming 316L stainless steel and several corrosion-resistant Ni/Co-rich H/MEAs. The deformation mechanism at 298 K is mainly dislocation slip, besides FCC-to-BCC phase transformation occurs at 77 K. First-principles calculations show that Mo doping reduces the alloy’s binding energy and O adsorption energy while increasing the Cl - migration barrier. Moreover, when Cl - adsorbs near Mo atoms, Mo weakens Cl - adsorption on Fe/Cr sites and reduces electronic interaction with Cl - . The experimental results show that Cr 2 O 3 and Mo oxides in the passive film enhance the corrosion resistance of the (Fe 62 Co 8 Ni 15 Cr 15 ) 97 Mo 3 MEA. This paper offers a reference for designing high-performance Fe-based MEAs.
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Research context

OpenAlex topics: High Entropy Alloys Studies · High-Temperature Coating Behaviors · Hydrogen Storage and Materials

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