Results 51 to 60 of about 31,534 (227)

Atomic‐Scale Understanding of Selectivity Control in Nitrate Reduction on Cu(100) Under Acidic and Alkaline Conditions

Angewandte Chemie, EarlyView.
A combination of ab initio molecular dynamics simulations and density functional theory calculations clarifies the pH‐dependent origin of the selectivity of nitrate reduction on Cu(100). ABSTRACT We investigate the nitrate reduction reaction (NO3 RR) on the Cu(100) surface using grand‐canonical density functional theory (GC‐DFT) under constant ...
Ebrahim Tayyebi, Kai S. Exner
wiley   +2 more sources

Advances in Layered Double Hydroxide (LDH)-Based Materials for Electrocatalytic Nitrogen Reduction to Ammonia: A Comprehensive Review

Nitrogen
Nitrogen (N2), constituting the majority of Earth’s atmosphere, remains indispensable for biological systems and underpins modern agriculture and industry.
Sayali S. Kulkarni, Ganesh L. Khande, Jayavant L. Gunjakar, Valmiki B. Koli   +3 more
doaj   +1 more source

Urban food-wasteEnergy nexus and the private sector [PDF]

, 2018
Reflecting on the food-energy nexus, my first thought went to the Haber–Bosch process. Perhaps no other human invention has had a more dramatic impact on our wellbeing and mother Earth than the Haber-Bosch chemistry.
Drechsel, Pay
core  

Dynamic Etching‐Induced Cl‐Terminated Ti3C2Clx/Ti3ZnC2 Heterostructure for Ammonia Electrosynthesis and Zinc‐Nitrogen Batteries

Advanced Science, EarlyView.
A stable Ti3C2Clx/Ti3ZnC2 heterostructure, fabricated by dynamic etching, exhibits outstanding electrocatalytic NRR activity (NH3 yield: 20.1 µg h−1 mg−1, FE: 38.1%) in alkaline media. The corresponding Zn‐N2 battery achieves a peak power density of 36.5 µW cm−2 and an NH3 yield of 13.1 µg h−1 mg−1, providing an advanced strategy for NH3 and ...
Yu Wang, Ying Sun, Liqun Ye, Jichi Liu, Hui Li, Yang Fu, Fengzhan Sun, Jieshan Qiu, Chang Yu, Tianyi Ma   +9 more
wiley   +1 more source

Heterogeneous Fe3 single-cluster catalyst for ammonia synthesis via an associative mechanism

Nature Communications, 2018
The current industrial ammonia synthesis relies on the Haber-Bosch process that is limited by the Brønsted–Evans–Polanyi relation. Here, the authors propose a new strategy that an anchored Fe3 on θ-Al2O3(010) surface serves as a heterogeneous single ...
Jin-Cheng Liu, Xue-Lu Ma, Yong Li, Yang-Gang Wang, Hai Xiao, Jun Li   +5 more
doaj   +1 more source

Effect of Thiols for Nitrogen Reduction to Ammonia [PDF]

, 2019
Ammonia is an important chemical used for fertilizers and also a potential carbon-free hydrogen storage medium. The Haber-Bosch process is the main production process, which requires large energy- and capital-input. Therefore, it is crucial to develop an
Ford, Zakary R.
core   +2 more sources

Boosting selective nitrogen reduction to ammonia on electron-deficient copper nanoparticles

, 2019
Production of ammonia is currently realized by the Haber–Bosch process, while electrochemical N2 fixation under ambient conditions is recognized as a promising green substitution in the near future.
Antonietti, M., Chen, J., Li, X., Lin, Y., Su, H., Xue, Z., Zhai, G., Zhang, J., Zhang, S., Zhao, T.   +9 more
core   +1 more source

Integrating Machine Learning With Constant‐Potential Simulation to Unravel Charge‐Transfer Mechanisms in Electrochemical Nitrogen Fixation

Advanced Science, EarlyView.
Integrating interpretable machine learning with the fixed‐potential method reveals a novel mechanism: the catalytic activity of the electrochemical nitrogen reduction reaction is governed by partial charge transfer, induced by variations in the intermediate potential of zero charge under constant potential.
Yufei Xue, Dushuo Feng, Yuefei Zhang, Yang Zhang, Yalong Jiao, Aijun Du, Guoping Gao   +6 more
wiley   +1 more source

Tailored Catalytic Microenvironments Enable Efficient Electrochemical Ammonia Production

Advanced Science, EarlyView.
This study shows that Co2+ substitution in inverse spinel FeFeCoO4 constructs an integrated catalytic microenvironment for efficient nitrate‐to‐ammonia reduction. Jahn–Teller distortion activates Fe sites for *H generation, while hard–soft acid–base regulated dual‐metal sites optimize proton‐coupled electron transfer and intermediate adsorption ...
Qi Zhang, Peimiao Zou, Huimin Zhang, Alex J. Brown, Yingjie Song, Marc Walker, Yisong Han, Kui Xie, Shanwen Tao   +8 more
wiley   +1 more source

Catalytic Performance of Doped Ni₂P Surfaces for Ammonia Synthesis †

Engineering Proceedings, 2023
Ammonia is a key ingredient in fertilizer production, but its synthesis using the conventional Haber–Bosch process over metal-based catalysts is energy intensive.
Abdulrahman Almithn
doaj   +1 more source