Advances in theory and algorithms for electronic structure calculations must be incorporated
into program packages to enable them to become routinely used by the broader chemical�…

Graphene, emerging as a true 2‐dimensional material, has received increasing attention
due to its unique physicochemical properties (high surface area, excellent conductivity, high�…

The dust cycle is an integral part of the Earth system. Each year, an estimated 2000 Mt dust
is emitted into the atmosphere, 75% of which is deposited to the land and 25% to the ocean�…

A summary of the technical advances that are incorporated in the fourth major release of the
q-Chem quantum chemistry program is provided, covering approximately the last seven�…

Long, balanced electron and hole diffusion lengths greater than 100 nanometers in the
polycrystalline organolead trihalide compound CH3NH3PbI3 are critical for highly efficient�…

Histone deacetylase (HDAC) inhibitors can induce programmed cell death in cancer cells,
although the underlying mechanism is obscure. In this study, we show that two distinct�…

Chemical doping with foreign atoms is an effective method to intrinsically modify the
properties of host materials. Among them, nitrogen doping plays a critical role in regulating�…

The large photocurrent hysteresis observed in many organometal trihalide perovskite solar
cells has become a major hindrance impairing the ultimate performance and stability of�…

Ongoing technological advances in diverse fields including portable electronics,
transportation, and green energy are often hindered by the insufficient capability of energy�…

Rechargeable aqueous batteries such as alkaline zinc/manganese oxide batteries are
highly desirable for large-scale energy storage owing to their low cost and high safety;�…