The electronic structure of the carbon-based nanomaterials can be modulated by do**
heteroatoms into them. When nitrogen is doped into the graphene structure with different …

Widespread adoption of hydrogen as a vehicular fuel depends critically upon the ability to
store hydrogen on-board at high volumetric and gravimetric densities, as well as on the …

Nanoporous adsorbents are a diverse category of solid-state materials that hold
considerable promise for vehicular hydrogen storage. Although impressive storage …

Carbon aerogels are a unique class of high-surface-area materials derived by sol–gel
chemistry. Their high mass-specific surface area and electrical conductivity, environmental …

The development of highly efficient hydrogen storage materials is one of the main
challenges that must be tackled in a widely expected hydrogen economy. Physisorption in …

Non-dissociative chemisorption solid-state storage of hydrogen molecules in host materials
is promising to achieve both high hydrogen capacity and uptake rate, but there is the lack of …

Hydrogen holds promise for slashing emissions in energy and transportation due to its high
energy density and clean combustion. The transition to hydrogen fuel encompasses various …

A series of hypercrosslinked polymer networks has been synthesized by the self-
condensation of bischloromethyl monomers such as dichloroxylene (DCX), 4, 4 '-bis …

Sensitivity of pristine graphene (PG) and Pd-doped graphene (Pd-G) toward a series of
small gas molecules (CO, NH 3, O 2 and NO 2) has been investigated by first-principles …

This topical review describes the methodology of continuum variational and diffusion
quantum Monte Carlo calculations. These stochastic methods are based on many-body …