Single-atom catalysts across the periodic table
Isolated atoms featuring unique reactivity are at the heart of enzymatic and homogeneous
catalysts. In contrast, although the concept has long existed, single-atom heterogeneous …
catalysts. In contrast, although the concept has long existed, single-atom heterogeneous …
Sunlight-driven water-splitting using two-dimensional carbon based semiconductors
The overwhelming challenge of depleting fossil fuels and anthropogenic carbon emissions
has driven research into alternative clean sources of energy. To achieve the goal of a …
has driven research into alternative clean sources of energy. To achieve the goal of a …
C2N: A Class of Covalent Frameworks with Unique Properties
C2N is a unique member of the CnNm family (carbon nitrides), ie, having a covalent
structure that is ideally composed of carbon and nitrogen with only 33 mol% of nitrogen …
structure that is ideally composed of carbon and nitrogen with only 33 mol% of nitrogen …
Perforated two-dimensional nanoarchitectures for next-generation batteries: Recent advances and extensible perspectives
M Nazarian-Samani, S Haghighat-Shishavan… - Progress in Materials …, 2021 - Elsevier
In the past decade, nanoperforated graphene (also known as a graphene nanomesh or
holey graphene) has attracted considerable research interest worldwide, predominantly …
holey graphene) has attracted considerable research interest worldwide, predominantly …
A First‐Principles Study of C3N Nanostructures: Control and Engineering of the Electronic and Magnetic Properties of Nanosheets, Tubes and Ribbons
Using first‐principles calculations we systematically investigate the atomic, electronic and
magnetic properties of novel two‐dimensional materials (2DM) with a stoichiometry C3N …
magnetic properties of novel two‐dimensional materials (2DM) with a stoichiometry C3N …
Density functional theory calculation of Ti3C2 MXene monolayer as catalytic support for platinum towards the dehydrogenation of methylcyclohexane
The need for sustainable energy systems and reducing greenhouse gas emissions are key
drivers in the development of liquid hydrogen organic carriers (LOHCs). Density functional …
drivers in the development of liquid hydrogen organic carriers (LOHCs). Density functional …
The electronic, magnetic and optical properties of GaN monolayer doped with rare-earth elements
S Tian, L Zhang, R Xie, A Lu, Y Huang, H Xing… - Solid State …, 2023 - Elsevier
Structural, electronic, magnetic, and optical properties of rare earth (RE) metal element
doped GaN monolayers are investigated using density functional theory, where RE= Nd …
doped GaN monolayers are investigated using density functional theory, where RE= Nd …
Controlling the electronic and optical properties of HfS 2 mono-layers via lanthanide substitutional doping: a DFT+ U study
Two dimensional HfS2 is a material with potential applications in the field of photo-catalysis
and advanced solid state devices. Density functional theory with the Hubbard U parameter …
and advanced solid state devices. Density functional theory with the Hubbard U parameter …
Adsorption of lanthanide atoms on graphene: Similar, yet different
Many theoretical studies address the interaction of different atoms with graphene; however,
the relevant information on the adsorption of the lanthanide species remains limited and …
the relevant information on the adsorption of the lanthanide species remains limited and …
Two-dimensional graphene–HfS 2 van der Waals heterostructure as electrode material for alkali-ion batteries
Poor electrical conductivity and large volume expansion during repeated charge and
discharge is what has characterized many battery electrode materials in current use. This …
discharge is what has characterized many battery electrode materials in current use. This …