Decoding the Hume–Rothery Rule in a Bifunctional Tetra-metallic Alloy for Alkaline Water Electrolysis

IF 9.1 1区材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Nano Letters Pub Date : 2025-01-17 DOI:10.1021/acs.nanolett.4c04412

Surajit Mondal, Supriti Dutta, Vishwadeepa Hazra, Swapan K. Pati, Sayan Bhattacharyya

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Abstract

The 90-year-old Hume–Rothery rule was adapted to design an outstanding bifunctional tetra-metallic alloy electrocatalyst for water electrolysis. Following the radius mismatch principles, Fe (131 pm) and Ni (124 pm) are selectively incorporated at the Pd (139 pm) site of Mo_0.30Pd_0.70 nanosheets. Analogously, Cu (132 pm) alloys with only Pd, while Ag (145 pm) alloys with both Pd and Mo (154 pm). The face-centered cubic Mo_0.30Pd_0.35Ni_0.23Fe_0.12 nanosheets with 10–12 atomic layers, featuring in-plane compressive strain along the {111} basal plane, show 1/3 (422) reflection from local hexagonal symmetry. The more electronegative Pd attracts electron density from Ni/Fe in Mo_0.30Pd_0.35Ni_0.23Fe_0.12, synergistically boosting the mass activities for hydrogen and oxygen evolution reactions to 89 ± 5 and 38.6 ± 3.1 A g^–1 at ±400 mV versus RHE, respectively. Full water electrolysis continues for ≥550 h, requiring cell voltages of 1.51 and 1.63 V at 10 and 100 mA cm^–2, delivering 45 mL h^–1 green H₂.

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碱水电解用双官能四金属合金休谟-罗瑟法则的解码

90年前的休谟-罗瑟里法则被用来设计一种杰出的双功能四金属合金电催化剂，用于水电解。根据半径失配原则，Fe （131 pm）和Ni （124 pm）选择性地掺入到Mo0.30Pd0.70纳米片的Pd （139 pm）位点。类似地，Cu （132 pm）合金只含Pd，而Ag （145 pm）合金同时含Pd和Mo （154 pm）。面心立方Mo0.30Pd0.35Ni0.23Fe0.12纳米片具有10-12原子层，沿{111}基面具有面内压缩应变，局部六边形对称反射1/3（422）。电负性更强的Pd在Mo0.30Pd0.35Ni0.23Fe0.12中吸引了Ni/Fe的电子密度，在±400 mV下，与RHE相比，Pd能协同提高析氢和析氧反应的质量活性，分别达到89±5和38.6±3.1 A g-1。全水电解持续≥550 h，在10和100 mA cm-2下，电池电压分别为1.51和1.63 V，输出45 mL h - 1的绿色H2。

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来源期刊

Nano Letters 工程技术-材料科学：综合

CiteScore

16.80

自引率

2.80%

发文量

1182

审稿时长

1.4 months

期刊介绍： Nano Letters serves as a dynamic platform for promptly disseminating original results in fundamental, applied, and emerging research across all facets of nanoscience and nanotechnology. A pivotal criterion for inclusion within Nano Letters is the convergence of at least two different areas or disciplines, ensuring a rich interdisciplinary scope. The journal is dedicated to fostering exploration in diverse areas, including: - Experimental and theoretical findings on physical, chemical, and biological phenomena at the nanoscale - Synthesis, characterization, and processing of organic, inorganic, polymer, and hybrid nanomaterials through physical, chemical, and biological methodologies - Modeling and simulation of synthetic, assembly, and interaction processes - Realization of integrated nanostructures and nano-engineered devices exhibiting advanced performance - Applications of nanoscale materials in living and environmental systems Nano Letters is committed to advancing and showcasing groundbreaking research that intersects various domains, fostering innovation and collaboration in the ever-evolving field of nanoscience and nanotechnology.