Photocatalysts for water splitting are of particular importance to a renewable energy based
energy and economic landscape. Two-dimensional (2D) semiconductors hold significant …

Previous experiments have provided evidence of sliding ferroelectricity and photoexcited
interlayer shear displacement in two-dimensional materials, respectively. Herein, we find …

Plasmonic metal nanoparticles (PMNPs) are capable of localized surface plasmon
resonance (LSPR) and have become an important component in many experimental …

An efficient and state‐of‐the‐art real‐time time‐dependent density functional theory (rt‐
TDDFT) method is presented, as implemented in the time‐dependent ab initio package …

An excellent single-atomic photocatalyst, Ti@ C4N3, is theoretically found to effectively
convert CO2 to C2H6 by density functional theory (DFT) calculations and non-adiabatic …

We present a new software module, QRCODE (Quantum Research for Calculating Optically
Driven Excitations), for massively parallelized real-time time-dependent density functional …

Light‐induced interlayer ultrafast charge transfer in 2D heterostructures provides a new
platform for optoelectronic and photovoltaic applications. The charge separation process is …

The unexpected chiral order observed in 1 T-TiSe 2 represents an exciting area to explore
chirality in condensed matter, while its microscopic mechanism remains elusive. Here, we …

A major challenge in condensed matter physics is to manipulate collective quantum phases
by all-optical methods, which can open enormous new possibilities for materials and device …

Nonequilibrium electron–phonon coupling (EPC) serves as a dominant interaction in a
multitude of transient processes, including photoinduced phase transitions, coherent …