Abstract We performed molecular dynamics simulations based on density functional theory to systematically investigate the Fe–Ni–C system including (1) pure Fe and Ni; (2) binary Fe–Ni, Fe–C, Ni–C; (3) ternary liquid compositions at 3000 K three simulation volumes corresponding pressure ( P ) up 83 GPa. Liquid structural properties, coordination numbers, are analyzed using partial radial distrib...

Anaeromyxobacter dehalogenans strain 2CP-C has been shown to grow by coupling the oxidation of acetate to the reduction of ortho-substituted halophenols, oxygen, nitrate, nitrite, or fumarate. In this study, strain 2CP-C was also found to grow by coupling Fe(III) reduction to the oxidation of acetate, making it one of the few isolates capable of growth by both metal reduction and chlororespirat...

The title compound, [Fe(C(10)H(20)O(5))(H(2)O)(2)][Fe(2)(C(4)N(2)S(2))(4)]·2C(10)H(20)O(5), consists of an [Fe(II)(15-crown-5)(H(2)O)(2)](2+) cation, sandwiched between and O-H⋯O hydrogen bonded by two additional 15-crown-5 ether mol-ecules and two independent [Fe(III)(mnt)(2)](-) anions, where 15-crown-5 ether denotes 1,4,7,10,13-penta-oxacyclo-penta-decane and mnt denotes cis-1,2-dicyano-1,2-...

The magnetic structure of the interfaces between organic semiconductors and ferromagnetic contacts plays a key role in the spin injection and extraction processes in organic spintronic devices. We present a combined computational (density functional theory) and experimental (X-ray magnetic circular dichroism) study on the magnetic properties of interfaces between bcc-Fe(001) and C(60) molecules...

Approximately 1% of presolar SiC grains found in primitive meteorites condensed in the ejecta of Type II supernovae. To explain the isotopic signatures of these so-called X grains, material from different SN zones had to contribute to the mix from which the grains formed. We measured the Fe and Ni isotopic ratios of individual X grains with the NanoSIMS. Most grains have enhanced 57 Fe/ 56 Fe r...