相关论文: Manganese Dissolution in alkaline medium with and …
We investigated the metal-ordered manganite system YBaMn2O6 using electron spin resonance (ESR) in the paramagnetic regime across the charge-ordering and structural phase transition at T_CO = 480 K and T_t = 520 K, respectively. All ESR…
The transition to sustainable green hydrogen production demands innovative electrocatalyst design strategies that can overcome current technological limitations. This study introduces a comprehensive data-driven approach to predicting and…
We study the ring-opening decomposition of ethylene carbonate in the presence of a single lithium atom and on the surface of lithium metal. Combining accurate electronic structure theory, enhanced sampling, and machine learning, we…
Hydrogen has been identified as a clean, zero carbon, sustainable, and promising energy source for the future, and electrochemical water splitting for hydrogen production is an emission-free, efficient energy conversion technology. A major…
In this study, we present a well-defined methodology for conducting Operando X-ray absorption near-edge structure spectroscopy (XANES) in conjunction with transmission X-ray nano computed tomography (TXM-nanoCT) experiments on the…
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…
Laser ablation of Al-Ni alloys and Al films on Ni substrates has been studied by molecular dynamics simulations (MD). The MD method was combined with a two-temperature model to describe the interaction between the laser beam, the electrons…
The study of ion dissolution from metal surfaces has a long-standing history, wherein the gradual dissolution of solute atoms with increasing electrode potential, leading to their existence as ions in the electrolyte with integer charges,…
In the ferromagnetic metallic state of the colossal magnetoresistive (CMR) manganite La1.2Sr1.8Mn2O7, the spin density distribution is essentially in agreement with the standard picture in which the unpaired electrons occupy the three t2g…
Functionalization and volatilization are competing reactions during the oxidation of carbonaceous materials and are important processes in many different areas of science and technology. Here we present a combined ambient pressure X-ray…
Novel member of polymetalloporphines, namely manganese polymetalloporphine of type I (pMnP-I) obtained by ion exchange from magnesium polyporphine of type I (pMgP-I) is reported for the first time and compared to its cobalt analogue…
Although developing artificial enzymes has made great progress, there is still a gap between artificial enzymes and natural enzymes in catalytic performance. Designing and constructing efficient artificial biocatalysts is extremely…
We investigate the quasiparticle dynamics in MnBi2Te4 single crystal using the ultrafast optical spectroscopy. Our results show that there exist anomalous dynamical optical responses below the antiferromagnetic (AFM) ordering temperature…
The detection, removal and reduction of hydrogen peroxide is of significant importance for its increasing application in the areas of environment, food, electrochemistry and clinical laboratory. Herein the dissociative adsorption behavior…
We present a density functional theory study of the oxygen reduction reaction (ORR) on a single atom catalyst embedded in graphene, namely, TM-N$_{4}$-C (TM = Fe and Co), using the effective screening medium method combined with the…
Carbon-supported nanoparticles have been used widely as efficient catalysts due to their enhanced surface-to-volume ratio. To investigate their structure-property relationships, acquiring 3D elemental distribution is highly required. Here,…
Layered transition metal dichalcogenide (TMD) semiconductors oxidize readily in a variety of conditions, and a thorough understanding of this oxide formation is required for the advancement of TMD-based microelectronics. Here, we combine…
Photocatalytic water splitting offers a viable and sustainable method for hydrogen production. MXenes, a class of 2D transition-metal carbides/nitrides, have emerged as potential photocatalysts and co-catalysts due to their tunable…
Environmental oxidation has a great impact in tuning the physical, chemical and electronic properties of two-dimensional (2D) monolayers which can affect their practical applications in nanoscale engineering devices under ambient…
Results of magnetization and neutron diffraction measurements of the manganese vanadate system Mn$_5$(VO$_4$)$_2$(OH)$_4$ are reported. The crystal structure of this compound contains triangular [Mn$_3$O$_{13}$] building blocks that produce…