The systematic improvement of Fe–N–C materials for fuel cell applications has proven
challenging, due in part to an incomplete atomistic understanding of the oxygen reduction …

The dielectric constant, which defines the polarization of the media, is a key quantity in
condensed matter. It determines several electronic and optoelectronic properties important …

Molecular transistors operating in the quantum tunneling regime represent potential
electronic building blocks for future integrated circuits. However, due to their complex …

Recently, there has been considerable interest in 2D Janus transition metal dichalcogenides
owing to their unique structure that exhibits broken mirror symmetry along the out‐of‐plane …

Carbon sorbent materials have shown great promise for solid‐state hydrogen (H2) storage.
Modification of these materials with nitrogen (N) dopants has been undertaken to develop …

A long-standing challenge facing the combination of two-dimensional crystals into
heterojunction is the unknown effect of mixing layer of different electronic properties …

The effects of vacancy and antisite defects, such as V Mo, V Mo2 far, V Mo2 close, V Se, V
Se2 close, V MoSe3, V MoSe6 and Mo Se2 on the electronic structure and magnetic …

If single-molecule, room-temperature, quantum interference (QI) effects could be translated
into massively parallel arrays of molecules located between planar electrodes, QI-controlled …

Understanding and controlling the orbital alignment of molecules placed between
electrodes is essential in the design of practically-applicable molecular and nanoscale …

Molecular wires with asymmetric anchors have garnered considerable interest in the field of
molecular electronics. Numerous studies have focused on asymmetrically anchored …