In this work, we employed density functional theory to elucidate the energetics associated with elementary steps along a Langmuir–Hinshelwood mechanism for the Haber–Bosch synthesis of ammonia from N2 ...

The fusion reactor ITER will use nitrogen gas to spread the power loads on the tungsten (W) divertor, which extracts heat and ash produced by the fusion reaction. However, once ionised in the fusion ...

The high selectivity towards ammonia production is crucial for practical applications, as it minimizes the formation of unwanted byproducts, such as nitrite, and ensures a cleaner and more efficient ...