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Rational combination holds the key for non-precious metal oxides and economic carbon materials to the creation of high performance air electrode materials. Carbon nanotubes (CNTs)-supported manganese oxides composite catalysts (CMnCs) were…

The catalytic activity of metal nanoparticles toward nucleation of single-walled carbon nanotubes (SWCNTs) is fundamental to achieving structure-controlled growth using catalytic chemical vapor deposition (CVD). Despite the success of…

Fe3C/few-layered graphene core/shell nanoparticles embedded in a carbon matrix are synthesized by a novel two-step surfactant sol-gel strategy, where the processes of hydrolysis, polycondensation and drying take place in a one-pot. The…

To elucidate the role of fluoroethylene carbonate (FEC) as an additive in the standard carbonate-based electrolyte for Li-ion batteries, the solid electrolyte interphase (SEI) formed during electrochemical cycling on silicon anodes was…

Membrane-electrode-assembly (MEA) cells with copper (Cu) cathodes show strong potential for electrochemical CO2 reduction to ethylene (C2H4), but achieving high C2H4 selectivity remains a challenge due to competing hydrogen evolution. This…

We report here results of our density functional theory based computational studies of the electronic structure of the Pd-Co alloy electrocatalysts and energetics of the oxygen reduction reaction (ORR) on their surfaces. The calculations…

Finding proper electrocatalysts capable of efficient catalyzing both ORR and OER is of great importance for metal-air batteries. With increasing inclination towards structural and flexible devices, developing a high-performance…

Nanoporous Cu (NPC), synthesized by chemical dealloying of brass, holds significant potential for catalysis of electrochemical CO2 and CO reduction, owing to the optimal binding energy of Cu with *CO and *H intermediates, and the abundance…

Nickel-iron layered double hydroxide (NiFe LDH) platelets with high morphological regularity and sub-micrometre lateral dimensions were synthesized using a homogeneous precipitation technique for highly efficient catalysis of the oxygen…

Nitrogen reduction reaction (NRR) which converts nitrogen (N2) to ammonia (NH3) normally requires harsh conditions to break the bound nitrogen bond. Herein, via first-principles calculation we reveal that a superior NRR catalytic activity…

We investigated the chemistry of nitrogen--containing species, principally isotopomers of CN, HCN, and HNC, in a sample of pre-protostellar cores. We used the IRAM 30 m telescope to measure the emission in rotational and hyperfine…

Hydrogen is considered a promising environmentally friendly energy carrier for replacing traditional fossil fuels. In this context, photoelectrochemical (PEC) cells effectively convert solar energy directly to H2 fuel by water…

Metal-support interactions are frequently invoked to explain the enhanced catalytic activity of metal nanoparticles dispersed over reducible metal-oxide supports, yet the atomic scale mechanisms are rarely known. Here, we use scanning…

The electrolysis of CO$_2$ in molten carbonate has been introduced as an alternative mechanism to synthesize carbon nanomaterials inexpensively at high yield. Until recently, CO$_2$ was thought to be unreactive, making its removal a…

We apply correlation matrix renormalization theory (CMRT) to cerium nitride (CeN) under pressure. For B1 (NaCl-type) phase, CMRT gives an equation of state consistent with ambient pressure experiments. It produces electronic…

The conversion of waste carbon dioxide (CO2) gas into valuable products and fuels through an electrocatalytic CO2 reduction reaction (CO2RR) is a promising approach. The sluggish kinetics of the CO2RR require the development of novel…

We perform first-principles calculations to investigate the structural and electronic properties of metal-doped (10, 0) carbon nanotubes (CNTs) on a single hexagonal boron nitride (hBN) sheet in the presence of an external electric field.…

Transformation of carbon dioxide into carbon nanotubes, CNTs, by electrolysis in molten carbonates provides a low cost route to extract and store this greenhouse gas. CNTs are more stable, compact and valuable than fuels or other CO2…

We have studied the body-centered cubic (bcc), face-centered cubic (fcc) and hexagonal close-packed (hcp) phases of Fe alloyed with 25 at. % of Ni at Earth's core conditions using an ab initio local density approximation + dynamical…

Chemical looping methane partial oxidation provides an energy and cost effective route for methane utilization. However, there is considerable CO2 co-production in state-of-the-art chemical looping systems, rendering a decreased…