Related papers: Pristine and transition metal doped 2D AlSb as hig…
Precious-metal-free spinel oxide electrocatalysts are promising candidates for catalyzing the oxygen reduction reaction (ORR) in alkaline fuel cells. In this theory-driven study, we use joint density-functional theory in tandem with…
Pt-based electrocatalysts are the primary choice for fuel cells due to their superior oxygen reduction reaction (ORR) activity. To enhance ORR performance and durability, extensive studies have investigated transition metal alloying,…
Molybdenum disulfide (MoS2) has emerged as a promising, cost-effective catalyst for hydrogen production via water splitting. We investigate the structural and electrocatalytic properties of MoS2 thin films deposited on different substrates…
The high-throughput scalable production of cheap, efficient and durable electrocatalysts that work well at high current densities demanded by industry is a great challenge for the large-scale implementation of electrochemical technologies.…
Due to their characteristic geometry, TiO$_2$ nanotubes (TNTs), suitably doped by metal-substitution to enhance their photocatalytic properties, have a high potential for applications such as clean fuel production. In this context, we…
The catalytic CO2 photoreduction to CO is significantly hindered by the pervasive kinetic bottleneck of *CO-desorption and inefficient charge separation. Surpassing the conventional single photocatalytic strategy, herein, a multi-synergetic…
We report a breakdown of the scaling of the antiferromagnetic transition temperature T_N on chemical doping for Pt-doped CaFe2As2. The substitution of Pt is ineffective in the reduction of antiferromagnetic ordering as well as in inducing…
CO2 conversion into value-added products has gained significant interest over the few last years, as the greenhouse gas concentrations constantly increase due to anthropogenic activities. Here we report on experiments for CO2 conversion by…
As a typical hole-doped cuprate superconductor, Bi 2 Sr 2 CaCu 2 O 8+{\delta} (Bi2212) carrier doping is mostly determined by its oxygen content. Traditional doping methods can regulate its doping level within the range of hole doping. Here…
Efficient artificial photosynthesis systems are currently realized as catalyst- and surfacefunctionalized photovoltaic tandem- and triple-junction devices, enabling photoelectrochemical (PEC) water oxidation while simultaneously recycling…
We present a first--principles density functional theory (DFT) study of transition metal (TM = Ti, Cr, Mn, Fe, Co, Ni) functionalized two--dimensional polyaramid (2DPA) to explore their structural, electronic, and magnetic properties.…
The photocatalytic production of hydrogen peroxide (H$_2$O$_2$) from water is a promising strategy for solar-to-chemical energy conversion. Herein, we investigate the effect of metal-free heteroatom doping (B, O, P, and S) on the…
Nanostructured catalysts have attracted the increased attention for biomass conversion into high-valued chemicals due to the rapid depletion of fossil resources and increasingly severe environmental issues. Supercritical carbon dioxide…
Charge doping is an effective way to induce metal-insulate transition (MIT) in correlated materials for many important utilizations, which is however practically limited by problem of low stability. In this study, we have achieved…
The hydrogen evolution reaction (HER) is central to sustainable hydrogen production, and nitrogen coordinated dual atom catalysts (DACs) offer a promising route to noble metal activity at low cost. Yet their vast compositional and…
We use neutron scattering to demonstrate that electron-doped superconducting Pr0.88LaCe0.12CuO4 in the underdoped regime is electronically phase separated in the ground state, showing the coexistence of a superconducting phase with a…
Converting earth-abundant dinitrogen into value-added chemical ammonia is a significant yet challenging topic. Electrocatalytic nitrogen reduction reaction (NRR), compared with conventional Haber-Bosch process, is an energy-saving and…
In the last decades, Bulk-Acoustic-Wave (BAW) filters have been essential components of 1G-to-4G radios. These devices rely on the high electromechanical coupling coefficient (kt2~7%), attained by Aluminum Nitride (AlN)…
To realize the creation of advanced multifunctional materials in energy storage and conversion technologies, the present research evaluates the structural, electronic, magnetic, thermodynamic, mechanical, thermoelectric, piezoelectric and…
The rational design of transition metal dichalcogenide electrocatalysts for efficiently catalyzing hydrogen evolution reaction (HER) is believed to lead to the generation of a renewable energy carrier. To this end our work has made three…