We report that the Kondo effect exerted by a magnetic ion depends on its chemical environment. A cobalt phthalocyanine molecule adsorbed on an Au(111) surface exhibited no Kondo effect. Cutting away eight hydrogen atoms from the molecule with voltage pulses from a scanning tunneling microscope tip allowed the four orbitals of this molecule to chemically bond to the gold substrate. The localized spin was recovered in this artificial molecular structure, and a clear Kondo resonance was observed near the Fermi surface. We attribute the high Kondo temperature (more than 200 kelvin) to the small on-site Coulomb repulsion and the large half-width of the hybridized d-level.

Achieving active and stable oxygen evolution reaction (OER) in acid media based on single-atom catalysts is highly promising for cost-effective and sustainable energy supply in proton electrolyte membrane electrolyzers. Here, we report an atomically dispersed Ru₁-N₄ site anchored on nitrogen-carbon support (Ru-N-C) as an efficient and durable electrocatalyst for acidic OER. The single-atom Ru-N-C catalyst delivers an exceptionally intrinsic activity, reaching a mass activity as high as 3571 A g_metal⁻¹ and turnover frequency of 3348 O₂ h⁻¹ with a low overpotential of 267 mV at a current density of 10 mA cm⁻². The catalyst shows no evident deactivation or decomposition after 30-hour operation in acidic environment. Operando synchrotron radiation X-ray absorption spectroscopy and infrared spectroscopy identify the dynamic adsorption of single oxygen atom on Ru site under working potentials, and theoretical calculations demonstrate that the O-Ru₁-N₄ site is responsible for the high OER activity and stability.

Spintronics is one of the most promising next generation information technology, which uses the spins of electrons as information carriers and possesses potential advantages of speeding up data processing, high circuit integration density, and low energy consumption. However, spintronics faces a number of challenges, including spin generation and injection, long distance spin transport, and manipulation and detection of spin orientation. In solving these issues, new concepts and spintronics materials were proposed one after another, such as half metals, spin gapless semiconductors, and bipolar magnetic semiconductors. Topological insulators can also be viewed as a special class of spintronics materials, with their surface states used for pure spin generation and transportation. In designing these spintronics materials, first-principles calculations play a very important role. This article attempts to give a brief review of the basic principles and theoretical design of these materials. Meanwhile, we also give some attentions to the antiferromagnetic spintronics, which is mainly based on antiferromagnets and has aroused much interest in recent years.