A round-trip journey of electrons: Electron catalysis enables direct fixation of N₂ to ...
Nitrogen gas (N2) is one of the most abundant yet highly stable gases in the Earth's atmosphere. Its N≡N triple bond has an ...
Density functional theory's self-interaction correction falters in transition metals, study ...
Density functional theory (DFT) is a cornerstone tool of modern physics, chemistry, and engineering used to explore the ...
Understanding the origin of magnetic moment enhancement in novel alloys
Magnetic materials have become indispensable to various technologies that support our modern society, such as data storage ...
EurekAlert!6 天
Improving density functional theory one flaw at time
Pitt researcher Karl Johnson and scholar Priyanka Bholanath Shukla collaborate to help strengthen an essential electron theory ...
Mirage News5 天
Refining Density Functional Theory Flaw by Flaw
Density functional theory (DFT) is a cornerstone tool of modern physics, chemistry, and engineering used to explore the behavior of electrons. While ...
C&EN6 天
Relaxation of Photoexcited Electron–Hole Pairs at Si(111) Surfaces with Adsorbed Ag ...
Department of Chemistry and Biochemistry, North Dakota State University, Fargo, North Dakota 58102, United States Department of Natural Sciences, Texas A&M University-San Antonio, San Antonio, Texas ...