"Free-atom-like" states have been reported for so-called single-atom alloys in the literature. See https://t.co/tu87JAgL1h by @johnkitchin and https://t.co/zAyJh6ZPVn. In our work, we show that you do not need the dilute limit of alloying to form such exo
RT @johnkitchin: We used computations to predict that single transition metal atoms embedded in a noble metal host would have electronic st…
RT @johnkitchin: We used computations to predict that single transition metal atoms embedded in a noble metal host would have electronic st…
RT @johnkitchin: We used computations to predict that single transition metal atoms embedded in a noble metal host would have electronic st…
RT @johnkitchin: We used computations to predict that single transition metal atoms embedded in a noble metal host would have electronic st…
Very interesting work from a fundamental perspective, and topical in view of several emerging technologies under investigation around here. Would be a great topic for an #ordern DFT student
RT @johnkitchin: We used computations to predict that single transition metal atoms embedded in a noble metal host would have electronic st…
We used computations to predict that single transition metal atoms embedded in a noble metal host would have electronic structures similar to gas phase atoms (https://t.co/qSH5guMm4O). This article https://t.co/BeW80ycBi0 shows some experimental confirmati
Thirumalai, H., & Kitchin, J. R., Investigating the reactivity of single atom alloys using density functional theory, Topics in Catalysis, (2018). [https://t.co/ifmf0LatfP]