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A solid-state Li-air battery: computational studies of interfaces and relevance to discharge mechanism

期刊: FARADAY DISCUSSIONS, 2023; ()

There is much interest in developing new energy storage systems to replace currently available ones that mainly work based on Li-ion intercalations. O......

Water dynamics and sum-frequency generation spectra at electrode/aqueous electrolyte interfaces

期刊: FARADAY DISCUSSIONS, 2023; ()

The dynamics of water at interfaces between an electrode and an electrolyte is essential for the transport of redox species and for the kinetics of ch......

Transformations in crystals of DNA-functionalized nanoparticles by electrolytes

期刊: FARADAY DISCUSSIONS, 2023; ()

Colloidal crystals have applications in water treatments, including water purification and desalination technologies. It is, therefore, important to u......

Spiers Memorial Lecture: Nanoalloys of multiple components; the road to advance the field and experimental and theoretical challenges

期刊: FARADAY DISCUSSIONS, 2023; 242 (0)

The field of nanoalloys has been advancing at a rapid pace in the last two decades. Many new characterization methods and theoretical advances have pr......

Experimental and theoretical investigations on the anti-perovskite nitrides Co3CuN, Ni3CuN and Co3MoN for ammonia synthesis

期刊: FARADAY DISCUSSIONS, 2023; 243 (0)

The ammonia synthesis activities of the anti-perovskite nitrides Co3CuN and Ni3CuN have been compared to investigate the possible metal composition-ac......

N2 solar activation: ammonia as a hydrogen vector for energy storage

期刊: FARADAY DISCUSSIONS, 2023; 243 (0)

From the plethora of energy-intensive synthetic processes, ammonia production has a particularly negative impact due to the high-energy consumption ca......

The bridge towards a more stable and active side-on-peroxido (Cu2II(μ-η2:η2-O2)) complex as a tyrosinase model system

期刊: FARADAY DISCUSSIONS, 2023; 244 (0)

A novel dinucleating bis(pyrazolyl)methane ligand was developed for tyrosinase model systems. After ligand synthesis, the corresponding Cu(i) complex ......

Catalytic activation via π-backbonding in halogen bonds

期刊: FARADAY DISCUSSIONS, 2023; 244 (0)

The role of halogen bonding (XB) in chemical catalysis has largely involved using XB donors as Lewis acid activators to modulate the reactivity of par......

New interstellar laboratories in the molecular ring

期刊: FARADAY DISCUSSIONS, 2023; 245 (0)

Much of what is known about chemistry in star-forming regions comes from observations of nearby (d < 500 pc) low-mass protostars. For chemistry in ......

Mapping the photochemistry of cyclopentadiene: from theory to ultrafast X-ray scattering

期刊: FARADAY DISCUSSIONS, 2023; 244 (0)

The photoinduced ring-conversion reaction when cyclopentadiene (CP) is excited at 5.10 eV is simulated using surface-hopping semiclassical trajectorie......

Spatio-temporal detachment of homogeneous electron transfer in controlling selectivity in mediated organic electrosynthesis

期刊: FARADAY DISCUSSIONS, 2023; 247 (0)

In electrosynthesis, electron transfer (ET) mediators are normally chosen such that they are more easily reduced (or oxidised) than the substrate for ......

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