Related papers: Predicting the pseudocapacitive windows for MXene …
To achieve the further development of supercapacitors (SCs), which have intensively received attention as a next-generation energy storage system, the rational design of active electrode materials with electrochemically more favorable…
Two-dimensional (2D) transition metal carbides and nitrides (MXenes) are a large family of materials actively studied for various applications, especially in the field of energy storage. To date, MXenes are commonly synthesized by etching…
It is generally assumed that oxygen potential in a thin oxide electrolyte follows a linear distribution between electrodes. Jacobsen and Mogensen have shown, however, that this is not the case for thin zirconia membranes in solid oxide…
As the energy storage ecosystem evolves beyond lithium, MXenes, a versatile family of 2D materials derived from MAX phases, have emerged as promising candidates for next-generation energy storage electrodes due to their tunable surface…
MXenes, a family of 2D transition metal compounds, have emerged as promising materials due to their unique electronic properties and tunable surface chemistry. However, the translation of these nanoscale properties into macroscopic devices…
Two-dimensional (2D) semiconducting transition-metal dichalcogenides (TMDCs) are an exciting platform for new excitonic physics and next-generation electronics, creating a strong demand to understand their growth, doping, and…
Two-dimensional (2D) transition metal dichalcogenides like molybdenum diselenide (MoSe$_2$) have shown great potential in optoelectronics and energy storage due to their layer-dependent bandgap. However, producing high-quality 2D MoSe$_2$…
The family of two-dimensional transition metal carbides, so called MXenes, has recently found new members with ordered double transition metals M$'_2$M$"$C$_2$, where M$'$ and M$"$ stand for transition metals. Here, using a set of…
Excitonic semiconductors such as transition metal dichalcogenides (TMDCs) are attractive for next-generation photovoltaics (PVs) with low cost, light weight, and low material consumption. In WS2 and other TMDCs, the simultaneous large…
We present a computational microscopy analysis (targeted molecular dynamics simulations) of the structure and performance of conductive metal organic framework (MOF) electrodes in supercapacitors with room temperature ionic liquids. The…
Increasing demands for renewable sources of energy has been a major driving force for developing efficient thermoelectric materials. Two-dimensional (2D) transition-metal dichalcogenides (TMDC) have emerged as promising candidates for…
High-performance anodes for rechargeable Li-ion battery are produced by nanostructuring of the transition metal oxides on a conductive support. Here, we demonstrate a hybrid material of MnO2 directly grown onto fabrics of carbon nanotube…
Hybrid electric vehicles and portable electronic systems use supercapacitors for energy storage owing to their fast charging discharging rates, long life cycle, and low maintenance. Specific capacitance is regarded as one of the most…
Semiconducting 2D materials, such as molybdenum disulfide (MoS2) and other members of the transition metal dichalcogenide family, have emerged as promising materials for applications in high performance nanoelectronics that exhibit…
The transition metal carbides (namely MXenes) and their functionalized derivatives exhibit various physical and chemical characteristics and offer many potential applications in electronic devices and sensors. Using density functional…
Battery-like supercapacitors feature high power and energy densities as well as long-term capacitance retention. The utilized capacitor electrodes are thus better to have large surface areas, high conductivity, high stability, and…
We present a generalizable scale-bridging computational framework that enables predictive modeling of insertion-type electrode materials from atomistic to device scales. Applied to sodium manganese hexacyanoferrate, a promising cathode…
Recently, Liu et al. reported that Ti2CTx MXene have ultra-high hydrogen storage capacity (8.8 wt.%) at room temperature. For the purpose to clearly understand the hydrogen storage (H-storage), the composition of studied samples should be…
We present a comprehensive first-principles investigation of the structural, electronic, vibrational, and superconducting properties of halogen-functionalized Mo2YX2 (Y = C, N; X = F, Cl, Br, I) MXene monolayers. Density functional theory…
MXenes are a family of 2D transition metal carbides and nitrides with remarkable properties and great potential for energy storage and catalysis applications. However, their oxidation behavior is not yet fully understood, and there are…