Recent experimental and theoretical advances in the design and science of high-entropy alloy nanoparticles
High-entropy alloy nanoparticles (HEA-NPs) hold unrestricted promise for various
applications in an unlimited chemical compositional space, as shown in recent years. These …
applications in an unlimited chemical compositional space, as shown in recent years. These …
Application of density functional theory and machine learning in heterogenous-based catalytic reactions for hydrogen production
Various feedstocks such as natural gas, glycerol, biomass, methanol, ethane, and other
hydrocarbons can be reformed to generate hydrogen as a viable alternative source of …
hydrocarbons can be reformed to generate hydrogen as a viable alternative source of …
Importance of surface topography in both biological activity and catalysis of nanomaterials: can catalysis by design guide safe by design?
It is acknowledged that the physicochemical properties of nanomaterials (NMs) have an
impact on their toxicity and, eventually, their pathogenicity. These properties may include the …
impact on their toxicity and, eventually, their pathogenicity. These properties may include the …
Mechanistic insights evaluating Ag, Pb, and Ni as electrocatalysts for furfural reduction from first-principles methods
Electrochemical reduction of furfural (ECRFF) emerges as an efficient and sustainable
means to obtain high-value chemicals and biofuels with the activity and product selectivity …
means to obtain high-value chemicals and biofuels with the activity and product selectivity …
Hydrogen production from formic acid attained by bimetallic heterogeneous PdAg catalytic systems
The production of H2 from the so-called Liquid Organic Hydrogen Carriers (LOHC) has
recently received great focus as an auspicious option to conventional hydrogen storage …
recently received great focus as an auspicious option to conventional hydrogen storage …
Liquid Metal Alloy Catalysis–Challenges and Prospects
Significant progress has been made in recent years in the development of liquid metal alloy
catalysts. This article provides an overview of the state‐of‐the‐art research pertaining to …
catalysts. This article provides an overview of the state‐of‐the‐art research pertaining to …
Fe and Ni Dopants Facilitating Ammonia Synthesis on Mn4N and Mechanistic Insights from First-Principles Methods
Cyclic step-catalysis enables intermittent, atmospheric ammonia production, and can be
integrated with sustainable and renewable energy sources. By employing metal (eg, Mn) …
integrated with sustainable and renewable energy sources. By employing metal (eg, Mn) …
CO 2 adsorption on gas-phase Cu 4− x Pt x (x= 0–4) clusters: a DFT study
LE Gálvez-González, JO Juárez-Sánchez… - Physical Chemistry …, 2018 - pubs.rsc.org
Transition and noble metal clusters have proven to be critical novel materials, potentially
offering major advantages over conventional catalysts in a range of value-added catalytic …
offering major advantages over conventional catalysts in a range of value-added catalytic …
Intrinsic properties of nitrogen-rich carbon nitride for oxygen reduction reaction
The intrinsic electronic and catalytic properties of two-dimensional (2D) graphitic carbon
nitride (gC 3 N 4) and its heterostructures were investigated as a potential oxygen reduction …
nitride (gC 3 N 4) and its heterostructures were investigated as a potential oxygen reduction …
Manipulating the geometric and electronic structures of manganese nitrides for ammonia synthesis
Manganese (Mn) nitrides are important nitrogen (N) carriers for small‐scale intermittent
ammonia (NH3) synthesis. However, only 3∼ 8% of lattice N are converted into NH3. In this …
ammonia (NH3) synthesis. However, only 3∼ 8% of lattice N are converted into NH3. In this …