Ho Ngoc Nam

Mesoporous high-entropy alloys (HEAs) represent a promising advancement in mesoporous metals, showing great potential for various applications. Their unique multi-metallic uniformity, strong structural features, and high surface-active-site exposure contribute to their practical catalytic ability. The catalytic efficiency of metal nanostructures depends on both their elemental compositions and crystallinity, with single-crystalline structures generally outperforming polycrystalline ones. However

Correction for 'Intrinsic defect formation and the effect of transition metal doping on transport properties in a ductile thermoelectric material α-Ag₂S: a first-principles study' by Ho Ngoc Nam et al., Phys. Chem. Chem. Phys., 2021, DOI: .

Although hierarchical porous carbon materials have been widely used for electrocatalysis, the role of curvature in carbon nanostructures during electrochemical reactions remains poorly understood due to a lack of experimental models featuring clearly defined curved geometries and periodic structures. In this study, we fabricate hierarchical porous cobalt- and nitrogen-containing carbon nanoplates with trimodal porosity (macro-, meso-, and micropores) and continuous, homogeneous curved edges (Co/

The development of flexible thermoelectric devices is gradually attracting increasing attention, particularly in the field of material design. In this study, we use first-principles calculations combined with Boltzmann equations to study the electronic and transport properties of Ag2S1−xSex, a key material with many important properties and extraordinary ductility, as well as a wide range of thermoelectric applications. The effect of Se alloying on the electronic structure of Ag2S and defect for

Tin halide perovskites are promising candidates for lead-free perovskite solar cells due to their ideal bandgap and high charge-carrier mobility. However, poor crystal quality and rapid degradation in ambient conditions severely limit their stability and practical applications. This study demonstrates that incorporating UiO-66, a zirconium-based MOF, significantly enhances the performance and stability of tin halide perovskite solar cells (TPSCs). The unique porous structure and abundant carboxy

The mobility and disorder in the lattice of Cu atoms as liquidlike behavior is an important characteristic affecting the thermoelectric properties of ${\mathrm{Cu}}_{2}\mathrm{S}$. In this study, using a theoretical model called an acanthite-like structure for ${\mathrm{Cu}}_{2}\mathrm{S}$ at a low-temperature range, we systematically investigate the electronic structure, intrinsic defect formation, and transport properties by first-principles calculations. Therefore, previous experimental repor

The development of flexible thermoelectric devices requires materials possessing ductility and high thermoelectric performance at room temperature. However, only a few existing materials meet both criteria. In this study, the ductile properties, electronic structure, and transport properties of the low-temperature phase α-AgCuS were elucidated using first-principles calculations combined with Boltzmann transport theory. With a layered zigzag structure similar to the well-known ductile semiconduc

Developing innovative platinum-based electrocatalysts and enhancing their efficiency are crucial for advancing high-performance fuel cell technology. In this study, we employed DFT calculations to provide a theoretical basis for interpreting the impact of graphene coatings on various Pt surfaces on oxygen reduction reaction (ORR) catalytic activity, which are currently applied as protective layers in experiments. We comprehensively assess the geometric and electronic properties of Pt(100), Pt(11

Correction for ‘Intrinsic defect formation and the effect of transition metal doping on transport properties in a ductile thermoelectric material α-Ag₂S: a first-principles study’ by Ho Ngoc Nam <italic>et al.</italic>, <italic>Phys. Chem. Chem. Phys.</italic>, 2021, DOI: 10.1039/d0cp06624a.

Abstract In this work, we elucidated the electronic structure and thermoelectric properties of intermetallic X Si ( X = Co, Rh) compounds. By combining first-principles calculations and the Boltzmann equation within electron–phonon average approximation, thermoelectric properties of X Si are well reproduced compared to experimental observations. We found that the considerable Seebeck coefficient and low electrical resistivity give X Si a large power factor, which has the potential for thermoelec

An effective combination of the KKR-CPA method and the Kubo–Greenwood formula allows quantitative reproduction of electrical resistivity of CoSi and its alloys with 3d transition metals.

The mobility and disorder in the lattice of Cu atoms as liquid-like behavior is an important characteristic affecting the thermoelectric properties of Cu$_{2}$S. In this study, using a theoretical model called acanthite-like structure for Cu$_{2}$S at a low-temperature range, we systematically investigate the electronic structure, intrinsic defect formation, and transport properties by first-principles calculations. Thereby, previous experimental reports on the indirect bandgap nature of Cu$_{2}

The increasing scarcity of freshwater resources has driven the development of solar interfacial evaporation technology, the effectiveness of which depends on the design of photothermal materials. Herein, a machine learning approach was combined with material design to develop Fe‐Co Prussian blue analogue (PBA)‐derived carbide/wood composite photothermal materials for desalination via solar interfacial evaporation. Through a bimetallic synergistic effect, the Fe‐Co ions enhanced the wood's light