Nitric oxide electrochemical reduction reaction on transition metal-doped MoSi<sub>2</sub>N<sub>4</sub> monolayers

Tong, Tianyue; Linghu, Yaoyao; Wu, Guangping; Wang, Chao; Wu, Chao

doi:10.1039/d2cp01500e

Cited by 12 publications

(4 citation statements)

References 49 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Among numerous TM atoms, the introduction of Cu atom into 2D materials can effectively improve gas sensitivity and catalytic performance with low cost, previously proved by InN, BN, C 3 N 4 and NiFe oxyhydroxide [11a,12] . Furthermore, our preceding work has indicated theoretically that the introduction of Cu can activate the adjacent three N atoms on MoSi 2 N 4 surface and significantly enhance the interaction between the substrate and NO molecule [13] . Therefore, Cu decorated MoSi 2 N 4 monolayer (Cu‐MoSi 2 N 4 ) is highly likely to be fabricated as a gas sensor.…”

Section: Introductionmentioning

confidence: 87%

“…[11a,12] Furthermore, our preceding work has indicated theoretically that the introduction of Cu can activate the adjacent three N atoms on MoSi 2 N 4 surface and significantly enhance the interaction between the substrate and NO molecule. [13] Therefore, Cu decorated MoSi 2 N 4 monolayer (Cu-MoSi 2 N 4 ) is highly likely to be fabricated as a gas sensor.…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Cu‐Doped MoSi₂N₄ Monolayer as a Potential NH₃ Sensor

Linghu

Tong

2023

ChemPhysChem

Self Cite

View full text Add to dashboard Cite

Cu doped MoSi 2 N 4 monolayer (Cu-MoSi 2 N 4 ) was firstly proposed to analyze adsorption performances of common gas molecules including O 2 , N 2 , CO, NO, NO 2 , CO 2 , SO 2 , H 2 O, NH 3 and CH 4 via density functional theory (DFT) combining with non-equilibrium Green's function (NEGF). The electronic transport calculations indicate that Cu-MoSi 2 N 4 monolayer has high sensitivity for CO, NO, NO 2 and NH 3 molecules. However, only NH 3 molecule adsorbs on the Cu-MoSi 2 N 4 monolayer with moderate strength (À 0.55 eV) and desorbs at room temperature (2.36 × 10 À 3 s). Thus, Cu-MoSi 2 N 4 monolayer is demonstrated as a potential NH 3 sensor.

show abstract

Section: Introductionmentioning

confidence: 87%

Section: Introductionmentioning

confidence: 99%

Cu‐Doped MoSi₂N₄ Monolayer as a Potential NH₃ Sensor

Linghu

Tong

2023

ChemPhysChem

Self Cite

View full text Add to dashboard Cite

show abstract

“…Overall, β-PdBi 2 exhibits a superior catalytic activity towards NORR, as its U L in the PDS is comparable to those of previously reported catalysts (−0.04 to −0.47 V). [26][27][28][29][72][73][74][75][76][77] In particular, the catalytic activity of β-PdBi 2 for NORR catalysis is even higher than that of some reported bimetallic catalysts, such as the experimentally reported RuGa catalyst (U L = −0.49 V), 78 theoretically predicted Cu 2 (U L = −0.30 V), 79 Mg-Ni@NC (U L = −0.23 V), 80 and Ga-Cr@NC (U L = −0.43 V), 80 further testifying the superior per- formance of the proposed β-PdBi 2 for NH 3 synthesis from NORR.…”

Section: Norr Catalytic Performance Of the β-Pdbi 2 Monolayermentioning

confidence: 99%

The β-PdBi₂monolayer for efficient electrocatalytic NO reduction to NH₃: a computational study

Sun

Wang

Liu

et al. 2023

Inorg. Chem. Front.

View full text Add to dashboard Cite

show abstract

“…As illustrated in Figure 10, the As and Sb atoms have the potential to be incorporated into Cu-site or S-site of Cu 2 S(111). To determine their preferred substitution sites, the binding energy (E bin ) of different doping systems is determined by [28,29]…”

Section: Effect Of As and Sb Dopant On The Au Adsorption Of Cu 2 Smentioning

confidence: 99%

Effect of Vacancy, As, and Sb Dopants on the Gold-Capturing Ability of Cu2S during Gold Collection in Matte Processes

Huang,

Xiong,

Gan

2023

Molecules

View full text Add to dashboard Cite

The technique of gold collection in matte can effectively improve the trapping efficiency of precious metals such as gold, silver, and platinum. However, the underlying mechanism of gold collection from high-temperature molten matte is complex and not well understood. In this work, the first-principle calculations were utilized to investigate the adsorption behavior of gold atoms on a Cu2S surface. The effects of vacancies and As and Sb doping on the gold-trapping ability of Cu2S were also explored, and the electronic properties of each adsorption system, including the charge density difference, density of states, and charge transfer, were systematically analyzed. The results show that the Cu-terminated Cu2S(111) surface has the lowest surface energy, and the Au atom is chemically adsorbed on the Cu2S(111) with an adsorption energy of −1.99 eV. The large adsorption strength is primarily ascribed to the strong hybridizations between Au-5d and Cu-3d orbitals. Additionally, the Cu vacancy can significantly weaken the adsorption strength of Cu2S(111) towards Au atoms, while the S vacancy can notably enhance it. Moreover, due to the formation of strong covalent As–Au/Sb–Au bonds, doping As and Sb into Cu2S(111) can enhance the gold-trapping capability of Cu2S, and the Sb doping exhibits superior effectiveness. Our studied results can provide theoretical guidance for improving the gold collection efficiency of Cu2S.

show abstract

Nitric oxide electrochemical reduction reaction on transition metal-doped MoSi₂N₄ monolayers

Abstract: Nitric oxide electrochemical reduction (NOER) reaction has been usually catalyzed by noble metals. However, the commercial applications are limited by the low atomic utilization and high price, which prompt researchers...

Cited by 12 publications

References 49 publications

Cu‐Doped MoSi₂N₄ Monolayer as a Potential NH₃ Sensor

Cu‐Doped MoSi₂N₄ Monolayer as a Potential NH₃ Sensor

The β-PdBi₂monolayer for efficient electrocatalytic NO reduction to NH₃: a computational study

Effect of Vacancy, As, and Sb Dopants on the Gold-Capturing Ability of Cu2S during Gold Collection in Matte Processes

Contact Info

Product

Resources

About

Nitric oxide electrochemical reduction reaction on transition metal-doped MoSi2N4 monolayers

Abstract: Nitric oxide electrochemical reduction (NOER) reaction has been usually catalyzed by noble metals. However, the commercial applications are limited by the low atomic utilization and high price, which prompt researchers...

Cited by 12 publications

References 49 publications

Cu‐Doped MoSi2N4 Monolayer as a Potential NH3 Sensor

Cu‐Doped MoSi2N4 Monolayer as a Potential NH3 Sensor

The β-PdBi2monolayer for efficient electrocatalytic NO reduction to NH3: a computational study

Effect of Vacancy, As, and Sb Dopants on the Gold-Capturing Ability of Cu2S during Gold Collection in Matte Processes

Contact Info

Product

Resources

About

Nitric oxide electrochemical reduction reaction on transition metal-doped MoSi₂N₄ monolayers

Cu‐Doped MoSi₂N₄ Monolayer as a Potential NH₃ Sensor

Cu‐Doped MoSi₂N₄ Monolayer as a Potential NH₃ Sensor

The β-PdBi₂monolayer for efficient electrocatalytic NO reduction to NH₃: a computational study