Green ammonia synthesis via the Haber–Bosch (HB) process has become a major field of research in recent years for production fertilizers and seasonal energy storage due to drastic drop cost renewable hydrogen. While catalysis engineering worked on this subject many years, current remains essentially unaltered. As result, industrial developments green are based HB process, which can only be econ...

The Haber–Bosch process conventionally reduces N2 to ammonia at 200 bar and 500 °C. Under ambient conditions, i.e., room temperature pressure, can be converted into by the nitrogenase molecule lithium-containing solid electrodes in nonaqueous media. In this work, we explore catalyst space for reduction reaction under conditions. We describe on basis of *N2 binding energy versus *H energy; find ...

The conversion of molecular nitrogen to ammonia is a key biological and chemical process and represents one of the most challenging topics in chemistry and biology. In Nature the Mo-containing nitrogenase enzymes perform nitrogen 'fixation' via an iron molybdenum cofactor (FeMo-co) under ambient conditions. In contrast, industrially, the Haber-Bosch process reduces molecular nitrogen and hydrog...

Ammonia (NH3) is an important raw material for nitrogen fertilizer production and widely used in industry. It also a carbon-free renewable fuel excellent hydrogen storage material. Reaction conditions of the traditional Haber–Bosch process are very harsh even though it supports most today’s NH3 production. Recently, electrocatalytic reduction reaction (NRR) has become one effective alternative ...

In a continuous quest for cost reduction, the semiconductor industry continues to pursue device scaling techniques. However as scaling becomes more complex and expensive, alternative techniques for cost reduction are being investigated. Progress in 3D packaging (3D-SIC, 3D-SoC) and Interposer technologies have the promise to offer reduced costs and smaller form factors. One of the key features ...

The Haber-Bosch process has been the workhorse of ammonia synthesis for more than a century, but its environmental cost instigated search greener methods nitrogen activation. Photocatalysis using doped titanium dioxide (TiO 2 ) stands out as promising method. In this work, we explore electronic properties pristine and Ru-loaded TiO clusters activation nitrogen, hydrogen on these clusters. We st...

The nitrogen reduction reaction (NRR) using new and efficient electrocatalysts is a promising alternative to the traditional Haber-Bosch process. Nevertheless, it remains challenge design catalysts with improved catalytic performance. Herein, various O-functional MXenes were investigated as NRR by combination of density functional theory calculations least absolute shrinkage selection operator ...

We present a simulation of the Bosch process using the feature-scale modeling software FPS3D. FPS3D is a generic simulator that can be applied to any set of materials, plasmas, reactive gases, and reactions for both 2D and 3D simulations of etching and deposition. FPS3D can simulate multi-time-step processes for which the fluxes, species, reactions, ion energies, angular distributions, and othe...

Summary Artificial N2 fixation is one of the most important industrial processes for human beings. However, current Haber-Bosch process based on fossil fuel suffers from unsustainability and a low to NH3 conversion. Here, we report magnesium chloride cycle synthesis H2O at atmospheric pressure. In this cycle, reacts with Mg form Mg3N2. Cl2 are produced by electrolysis molten MgCl2. NH4Cl used h...