High Performance PdxCuy Bimetal Catalysts With Adjustable Faraday Current Efficiency for Nitrogen Fixation

2021 ◽  
Author(s):  
Hongxi Zhang ◽  
Zengyao Wang ◽  
Jianfeng Shen ◽  
Mingxin Ye
Keyword(s):  
Nitrogen Fixation ◽  
Current Efficiency ◽  
Atmospheric Pressure ◽  
High Performance ◽  
Room Temperature ◽  
Product Yield ◽  
Reduction Reaction ◽  
Low Density ◽  
Nitrogen Reduction

The electro-catalytic nitrogen reduction reaction (NRR) at room temperature and atmospheric pressure had a great potential in NH3 production, but the low product yield because of the low density of...

scholarly journals Fe3 Cluster Anchored on the C2N Monolayer for Efficient Electrochemical Nitrogen Fixation

Catalysts ◽  
2020 ◽  
Vol 10 (9) ◽  
pp. 974
Author(s):  
Bing Han ◽  
Haihong Meng ◽  
Fengyu Li ◽  
Jingxiang Zhao
Keyword(s):  
Nitrogen Fixation ◽  
First Principles ◽  
Catalytic Performance ◽  
Reduction Reaction ◽  
First Principles Calculations ◽  
Ammonia Gas ◽  
Nitrogen Reduction ◽  
Single Cluster ◽  
Excellent Catalytic Performance ◽  
Production Of Ammonia

Under the current double challenge of energy and the environment, an effective nitrogen reduction reaction (NRR) has become a very urgent need. However, the largest production of ammonia gas today is carried out by the Haber–Bosch process, which has many disadvantages, among which energy consumption and air pollution are typical. As the best alternative procedure, electrochemistry has received extensive attention. In this paper, a catalyst loaded with Fe3 clusters on the two-dimensional material C2N (Fe3@C2N) is proposed to achieve effective electrochemical NRR, and our first-principles calculations reveal that the stable Fe3@C2N exhibits excellent catalytic performance for electrochemical nitrogen fixation with a limiting potential of 0.57 eV, while also suppressing the major competing hydrogen evolution reaction. Our findings will open a new door for the development of non-precious single-cluster catalysts for effective nitrogen reduction reactions.

Highly efficient electrochemical ammonia synthesis via nitrogen reduction reactions on a VN nanowire array under ambient conditions

2018 ◽  
Vol 54 (42) ◽  
pp. 5323-5325 ◽  
Author(s):  
Xiaoping Zhang ◽  
Rong-Mei Kong ◽  
Huitong Du ◽  
Lian Xia ◽  
Fengli Qu
Keyword(s):  
High Performance ◽  
Ammonia Synthesis ◽  
Nanowire Array ◽  
Reduction Reaction ◽  
Carbon Cloth ◽  
Ambient Conditions ◽  
Faradaic Efficiency ◽  
Nitrogen Reduction ◽  
Highly Efficient ◽  
High Ammonia

A VN nanowire array on carbon cloth (VN/CC) as a high-performance catalyst for the nitrogen reduction reaction (NRR) affords high ammonia yield (2.48 × 10−10 mol−1 s−1 cm−2) and faradaic efficiency (3.58%) at −0.3 V versus RHE in 0.1 M HCl.

scholarly journals Boosting Electrochemical Nitrogen Reduction Performance over Binuclear Mo Atoms on N-Doped Nanoporous Graphene: A Theoretical Investigation

Molecules ◽  
2019 ◽  
Vol 24 (9) ◽  
pp. 1777 ◽  
Author(s):  
Ruijie Guo ◽  
Min Hu ◽  
Weiqing Zhang ◽  
Jia He
Keyword(s):  
Free Energy ◽  
Binding Free Energy ◽  
Product Yield ◽  
Reduction Reaction ◽  
Ambient Conditions ◽  
Present Contribution ◽  
Faradaic Efficiency ◽  
Nitrogen Reduction ◽  
Mo Catalyst ◽  
Nanoporous Graphene

Exploration of efficient catalysts is a priority for the electrochemical nitrogen reduction reaction (NRR) in order to receive a high product yield rate and faradaic efficiency of NH3, under ambient conditions. In the present contribution, the binding free energy of N2, NNH, and NH2 were used as descriptors to screen the potential NRR electrocatalyst among different single or binuclear transition metal atoms on N-doped nanoporous graphene. Results showed that the binuclear Mo catalyst might exhibit the highest catalytic activity. Further free energy profiles confirmed that binuclear Mo catalysts possess the lowest potential determining step (hydrogenation of NH2* to NH3). The improved activities could be ascribed to a down-shift of the density of states for Mo atoms. This investigation could contribute to the design of a highly active NRR electrocatalyst.

Machine learning-based high throughput screening for nitrogen fixation on boron-doped single atom catalysts

2020 ◽  
Vol 8 (10) ◽  
pp. 5209-5216 ◽  
Author(s):  
Mohammad Zafari ◽  
Deepak Kumar ◽  
Muhammad Umer ◽  
Kwang S. Kim
Keyword(s):  
Machine Learning ◽  
Nitrogen Fixation ◽  
High Throughput ◽  
High Throughput Screening ◽  
Reduction Reaction ◽  
Single Atom ◽  
Nitrogen Reduction ◽  
Computational Burden ◽  
Boron Doped

Machine learning (ML) methods would significantly reduce the computational burden of catalysts screening for nitrogen reduction reaction (NRR).

Synergistic Nb3c and Sn4c-Nb5c dimer over SnNb2O6 nanosheets to boost electrocatalytic nitrogen fixation

2021 ◽  
Author(s):  
Xiaotian Li ◽  
Ye Tian ◽  
Xiaomiao Wang ◽  
Ya-li Guo ◽  
Ke Chu
Keyword(s):  
Nitrogen Fixation ◽  
High Efficiency ◽  
Ammonia Synthesis ◽  
Reduction Reaction ◽  
Nitrogen Reduction

Electrochemical nitrogen reduction reaction (NRR) provides a promising route for energy-effective and sustainable ammonia synthesis, while developing high-efficiency NRR electrocatalysts is extremely desirable. Here we first exploited foordite SnNb2O6 nanosheets...

scholarly journals Recent Progress on Catalysts towards Electrocatalytic Nitrogen Reduction Reaction

2020 ◽  
Vol 1 (2) ◽  
Author(s):  
Xue YAO ◽  
Rui ZHAO ◽  
Zhengtong JI ◽  
Xingyou LANG ◽  
Yongfu ZHU ◽  
...  
Keyword(s):  
Triple Bond ◽  
High Performance ◽  
Room Temperature ◽  
Ambient Pressure ◽  
Reduction Reaction ◽  
Operating Conditions ◽  
The Sustainable Development ◽  
Future Design ◽  
Promising Strategy ◽  
Production Of Ammonia

The energy-intensive Haber-Bosch process currently dominants the production of ammonia (NH3), an indispensable chemical for humans. For the sustainable development of society, highly efficient and green strategies to convert nitrogen (N2) to NH3 are urgently required. Electrocatalytic N2 reduction reaction (eNRR) is universally regarded as a promising strategy owing to the mild operating conditions and renewable energy supply. The key for eNRR is the high-performance catalysts, which activate the inert N-N triple bond and thus decrease the energy barrier. Herein, the recent theoretical and experimental progress on eNRR catalysts at room temperature and ambient pressure is summarized, aiming to provide a reference for future design of high-performance eNRR catalysts.

PREPARATION OF ULTRAFINE W–Cu COMPOSITE POWDER USING ULTRASONIC-ASSISTED ELECTROLESS PLATING

2013 ◽  
Vol 27 (19) ◽  
pp. 1341004 ◽  
Author(s):  
LIMEI HUANG ◽  
LAIMA LUO ◽  
XIAOYU DING ◽  
XIANG ZAN ◽  
YU HONG ◽  
...  
Keyword(s):  
Growth Mechanism ◽  
Electroless Plating ◽  
High Performance ◽  
Room Temperature ◽  
Composite Powder ◽  
Surface Defects ◽  
Cell Structure ◽  
Reduction Reaction ◽  
Composite Powders ◽  
Ultrasonic Assisted

W – Cu ultrafine/nanocomposite powders have high sintering activity, so ultrafine/nanotechnology of W – Cu composite powders is one of the main methods to obtain fully dense, high-performance W – Cu composite materials. Cu -coated ultrafine W composite powders were synthesized by ultrasonic-assisted electroless plating process with non-noble metal activation pretreatment at room temperature in this paper. The growth mechanism of Cu layers and surface morphologies and composition of initial ultrafine W powders, pretreated W powders and Cu -coated W powders were analyzed by field emission scanning electron microscopy (FE-SEM), and energy dispersion spectrometry (EDS). The results show that the uniformly Cu coated W composite powder is successfully synthesized without conventional sensitization and activation steps by ultrasonic-assisted electroless plating at room temperature. The Cu layers on the ultrafine W powders had cell structure with dense, uniform distribution. The growth mechanism of Cu layers appears as follows: the surfaces of pretreated W powders appear linear-like and lamellar-like surface defects which act as activated sites. The reactants in the plating solution were adsorbed on catalytic activity surfaces of powders and happened oxidation–reduction reaction. The growth and aggregation mechanisms of Cu particles after nucleation are stripy Cu -cells grew up, bend, bifurcated, and aggregated, then wounding into a cellular structure, like "wrapping wool clusters" in the life. Finally, Cu cells grow up and merge into a layer.

Nitrogen fixation on a single Mo atom embedded stanene monolayer: a computational study

2020 ◽  
Vol 22 (25) ◽  
pp. 13981-13988 ◽  
Author(s):  
Yao Tan ◽  
Ying Xu ◽  
Zhimin Ao
Keyword(s):  
Nitrogen Fixation ◽  
Transition Metal ◽  
Metal Atom ◽  
First Principles ◽  
Computational Study ◽  
Reduction Reaction ◽  
Transition Metal Atom ◽  
First Principles Calculations ◽  
Nitrogen Reduction ◽  
Effective Catalyst

In this work, we explored the feasibility of transition metal atom embedded stanene as an effective catalyst for the nitrogen reduction reaction (NRR) based on first-principles calculations.

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