Electrocatalytic water oxidation over AlFe<sub>2</sub>B<sub>2</sub>

Mann, Dallas K; Xu, Junyuan; Mordvinova, Natalia E.; Yannello, Vincent; Ziouani, Yasmine; González-Ballesteros, Noelia; Sousa, Juliana P. S.; Lebedev, Oleg I.; Kolen’ko, Yury V.; Shatruk, Michael

doi:10.1039/c8sc04106g

Cited by 56 publications

(41 citation statements)

References 33 publications

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“…Especially, MnB and FeB exhibit the strongest feasibility for experimental realization because of their less positive Δ E hull values (0.87 and 0.79 eV atom −1 , respectively) and the availability of the MAX‐phase precursors (see Figure S2 in the Supporting Information). [ 30 ]…”

Section: Resultsmentioning

confidence: 99%

Establishing a Theoretical Landscape for Identifying Basal Plane Active 2D Metal Borides (MBenes) toward Nitrogen Electroreduction

Guo

Lin

et al. 2020

Adv Funct Materials

129

114

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To achieve efficient ammonia synthesis via electrochemical nitrogen reduction reaction (NRR), a qualified catalyst should have both high specific activity and large active surface area. However, integrating these two merits into one single material remains a big challenge due to the difficulty in balancing multiple reaction intermediates. Here, it is demonstrated that the boron‐analogues of MXenes, namely “MBenes”, could cope with the challenge and achieve the high activity and large reaction region simultaneously toward NRR. Using extensive density functional theory computations and taking 16 MBenes as representatives, it is identified that seven MBenes (CrB, MoB, WB, Mo2B, V3B4, CrMnB2, and CrFeB2) not only have intrinsic basal plane activity for NRR with limiting potentials ranging from −0.22 to −0.82 V, but also possess superior capability of suppressing the competitive hydrogen evolution reaction. Particularly, different from the MXenes whose surface oxidation may block the active sites, once oxidized, these MBenes can catalyze NRR via the self‐activating process, reducing O*/OH* into H2O* under reaction conditions, and favoring the N2 electroreduction. As a result, the exceptional activity and selectivity, high active area (≈1019 m−2), and antioxidation nature render these MBenes as pH‐universal catalysts for NH3 production without introducing any dopants and defects.

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Section: Resultsmentioning

confidence: 99%

Establishing a Theoretical Landscape for Identifying Basal Plane Active 2D Metal Borides (MBenes) toward Nitrogen Electroreduction

Guo

Lin

et al. 2020

Adv Funct Materials

129

114

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“…This result means that the P-TSNa is successfully grafted on PPy backbone and able to uniformly anchor metal cations.A lso,t he EELS result on Fe 3+ shows ac lear negative shift when compared with the reference Fe 2 O 3 ( Figure S6), suggesting that the ferric ions (Fe 3+ )a re reduced. [27] Also,when S-PPy disperses in aFe 3+ solution with stirring, it is clear that the orange colour is faded after aging, showing that the S-PPy can self-doped these ferric cations (Supporting Information, Figure S7). These results further confirm that the metal cations are prone to be localized on the benzene rings,f orming redox centres on the side chains.…”

Section: Resultsmentioning

confidence: 99%

General Synthesis of Single‐Atom Catalysts for Hydrogen Evolution Reactions and Room‐Temperature Na‐S Batteries

et al. 2020

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“…An important factor to consider is that the Fe 2 AlB 2 particles in the HCl-FAB samples may have formed a shell of poorly crystallized or amorphous Fe x O y during HCl treatment, as noted to occur during aqueous treatments. 3,6 Considering that the aluminothermic reduction of iron oxides occurs quite rapidly at temperatures higher than 1126 K, 20 for Fe:Al ratios of up to 2.06, 19 further heating of Fe 2 Al 1-δ B 2 in an environment with high activity of N 2 may then drive the relatively easier decomposition of HCl-FAB. The fact that neither the B-FAB herein nor the dense samples studied in Ref.…”

Section: Resultsmentioning

confidence: 99%

Thermal stability of the nanolayered Fe₂AlB₂ in nitrogen and argon atmospheres

et al. 2020

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The MAB phases are atomically laminated ternary or quaternary transition metal (M) borides whose crystal structures are comprised of stacked M-B (M = transition metal; B = boron) layers interlayered with one or two layers of an A element (Al or Zn). 1,2 The MAB phase Fe 2 AlB 2 has garnered considerable research attention for its electrocatalytic water-splitting ability, 3 favorable high-temperature mechanical properties, 4 and for being a promising magnetocaloric material for active magnetic regenerative refrigeration. 5,6 Studying the thermal decomposition mechanisms of Fe 2 AlB 2 is therefore crucial to understand its limitations in prospective applications. The thermal stability of bulk Mn 2 AlB 2 , 7,8 MoAlB, 9 and Fe 2 AlB 2 8,10,11 borides has been reported in argon (Ar), nitrogen (N 2), or vacuum atmospheres. Kota et al showed that bulk Mn 2 AlB 2 was stable up to ≈1380 K and decomposes into the binary boride MnB and Al-rich phases above this temperature. 7 Differential thermal analysis, quenching experiments, X-ray diffraction (XRD), and scanning electron microscopy (SEM) showed evidence that bulk MoAlB samples are stable up to 1708 K and then decompose into MoB and Al in vacuum or inert atmospheres. 9 Bulk Fe 2 AlB 2 samples have been reported to be stable up to the 1440-1520 K temperature range in He or Ar atmospheres. 8,10,11 Liu et al observed that substantial amounts of β-FeB precipitated in bulk samples after annealing at ≈1510 K in an Ar atmosphere. 11 Similarly, Ade and Hillebrecht observed that Cr 3 AlB 4 crystals cannot be synthesized above 1373 K

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Electrocatalytic water oxidation over AlFe₂B₂

Abstract: AlFe2B2 pre-catalyst produces a nanocrystalline Fe3O4 shell in alkaline media. The system acts as a remarkably stable water oxidation electrocatalyst.

Cited by 56 publications

References 33 publications

Establishing a Theoretical Landscape for Identifying Basal Plane Active 2D Metal Borides (MBenes) toward Nitrogen Electroreduction

Establishing a Theoretical Landscape for Identifying Basal Plane Active 2D Metal Borides (MBenes) toward Nitrogen Electroreduction

General Synthesis of Single‐Atom Catalysts for Hydrogen Evolution Reactions and Room‐Temperature Na‐S Batteries

Thermal stability of the nanolayered Fe₂AlB₂ in nitrogen and argon atmospheres

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Electrocatalytic water oxidation over AlFe2B2

Abstract: AlFe2B2 pre-catalyst produces a nanocrystalline Fe3O4 shell in alkaline media. The system acts as a remarkably stable water oxidation electrocatalyst.

Cited by 56 publications

References 33 publications

Establishing a Theoretical Landscape for Identifying Basal Plane Active 2D Metal Borides (MBenes) toward Nitrogen Electroreduction

Establishing a Theoretical Landscape for Identifying Basal Plane Active 2D Metal Borides (MBenes) toward Nitrogen Electroreduction

General Synthesis of Single‐Atom Catalysts for Hydrogen Evolution Reactions and Room‐Temperature Na‐S Batteries

Thermal stability of the nanolayered Fe2AlB2 in nitrogen and argon atmospheres

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Electrocatalytic water oxidation over AlFe₂B₂

Thermal stability of the nanolayered Fe₂AlB₂ in nitrogen and argon atmospheres