Nguyen Thanh Tung

Vietnam Academy of Science and Technology | VAST ·  Institute of Materials Science

Hiện nay, các nghiên cứu phát triển các nguồn năng lượng hydro có khả năng tái tạo và sạch đang ngày càng gia tăng về số lượng và chất lượng. Hydro được cho là một loại nhiên liệu tiềm năng, sạch và an toàn với môi trường, được coi là giải pháp bền vững khắc phục sự phụ thuộc vào nhiên liệu hóa thạch hiện nay. Việc tạo ra hydro thông qua các nguồn...

Developing highly efficient and durable hydrogen evolution reaction (HER) electrocatalysts is crucial for addressing the energy and environmental challenges. Among the 2D-layered chalcogenides, MoSe2 possesses superior features for HER catalysis. The van der Waals attractions and high surface energy, however, stack the MoSe2 layers, resulting in a...

With great potential for applications in fields such as heat radiation, energy harvesting, and biochemical and molecular sensing, the terahertz (THz) metamaterial (MM) absorber has attracted great interest and is the subject of intensive study. Research on developing intelligent metamaterials which can control absorption properties is of particular...

In this paper, a wearable dual-band T-shaped antenna using a coplanar waveguide (CPW) fed operating at 2.4 GHz and 5.2 GHz bands is proposed for onbody wireless communications applications. Without the metamaterial-based electromagnetic bandgap (EBG) layer, the original antenna covers two bands from 1.96 GHz to 2.77 GHz and from 5.07 GHz to 5.35 GH...

The first oral drug for the treatment of COVID-19, Paxlovid, has been authorized; however, nirmatrelvir, a major component of the drug, is reported to be associated with some side effects. Moreover, the appearance of many novel variants raises concerns about drug resistance, and designing new potent inhibitors to prevent viral replication is thus u...

In the quest of improving the photocatalytic efficiency of photocatalysts, the combination of two and more semiconductors recently has garnered significant attention among scientists in the field. The doping of conductive metals is also an effective pathway to improve photocatalytic performance by avoiding electron/hole pair recombination and enhan...

The geometric structure, stability, dissociation channel and magnetism of AgnCo clusters (n = 1–12) have been studied using density functional theory. The results show that the Co atom tends to choose the highest coordination position. The ground state of AgnCo clusters prefers the planar motif at small sizes (n less than 4) but favors 3D structure...

The Research Topic will cover various applications of materials utilizing plasma processing under either atmospheric or low-pressure conditions, such as plasma etching/deposition, plasma treatment/activation, surface coating/modification, particle/material synthesis, plasma catalysis, etc. This Research Topic will collect original research and high...

We numerically study in this work the magnetic properties induced by the on-site electron-electron interaction in graphene nanoflakes shaped diamond with a variety of sizes. By the mean-field Hubbard approximation, a phase transition in analogy to infinite graphene from non-magnetism to antiferromagnetism is observed. A very weak interaction U, app...

Au102+ and Au20 pyramids, whose stability and inertness are comparable to those of carbon fullerene C60, are considered as important landmarks in the long-history investigation of gold nanoclusters. Numerous experimental and theoretical studies on doping Au102+ and Au20 with transition metal atoms have been carried out for specific properties that...

Correction for ‘Rapid prediction of possible inhibitors for SARS-CoV-2 main protease using docking and FPL simulations’ by Minh Quan Pham et al. , RSC Adv. , 2020, 10 , 31991–31996, https://doi.org/10.1039/D0RA06212J.

Correction for 'Characterizing the ligand-binding affinity toward SARS-CoV-2 Mpro via physics- and knowledge-based approaches' by Son Tung Ngo et al., Phys. Chem. Chem. Phys., 2022, https://doi.org/10.1039/d2cp04476e.

In this work, a g-C3N4/porphyrin nanocomposite was fabricated through the self-assembling of monomeric Tetrakis (4-carboxyphenyl) porphyrin (TCPP) molecules with g-C3N4 nanomaterials. The characterizing results showed a good distribution of TCPP nanofibers with a diameter of < 100 nm and several micrometers in length on the g-C3N4 nanoflakes’ surfa...

Computational approaches, including physics- and knowledge-based methods, have commonly been used to determine the ligand-binding affinity toward SARS-CoV-2 main protease (Mpro or 3CLpro). Strong binding ligands can thus be suggested as potential inhibitors for blocking the biological activity of the protease. In this context, this paper aims to pr...

For the commercial-scale of hydrogen production from water-splitting, developing earth-abundant and competitive price catalysts is highly demanding, but it is challenging to replace the noble metal-based state-of-the-art catalysts. Herein, we report MoS2@graphene (MoS2@Gr) heterostructures materials as a promising hydrogen evolution reaction (HER)...

This study investigated the effects of plasma duration and different reactive species ratios of cold atmospheric-pressure plasma treatment on both physical and endogenous hormone changes in enhancing the germination and growth of mung bean seeds. Seed germination and sprout stem length were significantly enhanced after plasma treatment. The germina...

Increasing interest has been paid for hydrogen adsorption on atomically controlled nanoalloys due to their potential applications in catalytic processes and energy storage. In this work, we investigate the interaction of H2 with small-sized Ag n Cr (n = 1-12) using density functional theory calculations. It is found that the cluster structures are...

A reconfigurable metamaterial absorber (MA) in the microwave region is numerically and experimentally demonstrated based on a multi-layered metamaterial. The proposed structure can be mechanically switched between two different configurations to obtain designated absorption behaviors. By rotating the upper ring layer by multiples of 90 deg, two sep...

Composites of refluxed carbon nanotubes (CNTs) at different contents and novel hexagonal tungsten oxide (h'-WO3) nanoflakes were prepared via a one-step hydrothermal method without using any surfactant or structure-directing agents. The morphology, crystal structure, and optical properties of nanocomposites were analyzed using a field-effect scanni...

In fish farming, regular measurement of fish length is a necessary work to evaluate the growth and health status of fish. However, manual measurement of fish length using measuring board is a time-consuming task and subject to error due to human bias factor. In this paper, the authors present the use of image processing techniques and smartphone ca...

We theoretically investigate in this work the interplay between the intrinsic spin-orbit coupling (SOC) and electron-electron interaction on the magnetism in the graphene honeycomb lattice. Particularly, a phase diagram is here explored and studied by Kane-Mele-Hubbard (KMH) model combined with mean-field theory and self-consistent algorithm. Resul...

Graphene has been extensively considered an ideal additive to improve the mechanical properties of many composite materials, including rubbers, because of its novel strength, high surface area, and remarkable thermal and electron conductivity. However, the pristine graphene shows low dispersibility in the rubber matrix resulting in only slightly en...

Janus kinase 2 (JAK2) inhibitors are potential anticancer drugs in the treatment of lymphoma, leukemia, thrombocytosis and particularly myeloproliferative diseases. However, the resemblance among JAK family members has challenged the identification of highly selective inhibitors for JAK2 to reduce undesired side effects. As a result, a robust searc...

This paper presents for the first time the systematic synthesis of AgInS2 (AIS) nanocrystals (NCs) with different sizes of 2.6 – 6.8 nm just by controlling only the reaction temperature. The synthesis of AIS core NCs was carried out in 2 steps: (i) synthesis of Ag2S NCs and then (ii) partial exchange of Ag+ with In3+ in the template Ag2S NCs. For s...

In this work, the magnetic states and thermally induced spin currents in graphene nanoflake sizes with different sizes and shapes have been investigated using Hubbard model combined with non-equilibrium Green's function method. In addition to the antiferromagnetic state governed by the sizes, shapes, armchair bond densities, and Coulomb energy, our...

A theoretical study of geometric and electronic structures, stability and magnetic properties of both neutral and anionic Ge16M0/- clusters with M being a first-row 3d transition metal atom, is performed using quantum chemical approaches. Both the isoelectronic Ge16Sc- anion and neutral Ge16Ti that have a perfect Frank-Kasper tetrahedral T d shape...

Các bộ hấp thụ sóng điện từ dựa trên siêu vật liệu (Metamaterials absorber - MMA) thông thường được thiết kế với các bộ cộng hưởng, một mặt phẳng kim loại liên tục và một lớp điện môi kẹp giữa. Sự hấp thụ dựa trên tổn hao ở lớp điện môi gây ra bởi các cộng hưởng từ. Các MMAs như thế chỉ cho phép hấp thụ sóng điện từ theo một chiều truyền đến, chiều...

Nanoclusters have been emerging as potential building blocks for advanced nanostructured materials with desired catalytic, magnetic, and electronic properties. However, determining the structure of doped atomic clusters encounters many difficulties. A powerful approach to assign the ground state geometries of atomic clusters has been the comparison...

In the past few years, green synthesis has been extensively utilized as an environmentally friendly and affordable approach for the preparation of nanomaterials. Many extracts from plants have been employed as green reductants for these syntheses. For the first time, the Cleistocalyx operculatus leaf extract was employed as a green reductant to syn...

Au102+ has been found very stable showing a superatomic behavior with a highly symmetrical geometry and can be considered as the smallest copy of the golden pyramid Au20. In this work, we further explore superatomic clusters as analogues of more complex molecules by doping Au102+ cluster with 3d transition metal atom. It is found that, in similarit...

AutoDock Vina (Vina) achieved a very high docking-success rate, , but give a rather low correlation coefficient, , for binding affinity with respect to experiments. This low correlation can be an obstacle for ranking of ligand-binding affinity, which is the main objective of docking simulations. In this context, we evaluated the dependence of Vina...

The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has been causing the COVID-19 pandemic, resulting in several million deaths being reported. Numerous investigations have been carried out to discover a compound that can inhibit the biological activity of the SARS-CoV-2 main protease, which is an enzyme related to the viral replicatio...

The umbrella sampling (US) simulation is demonstrated to be an efficient approach for determining the unbinding pathway and binding affinity to the SARS-CoV-2 Mpro of small molecule inhibitors. The accuracy of US is in the same range as the linear interaction energy (LIE) and fast pulling of ligand (FPL) methods. In detail, the correlation coeffici...

Correction for ‘The binary aluminum scandium clusters Al x Sc y with x + y = 13: when is the icosahedron retained?’ by Ngo Tuan Cuong et al. , RSC Adv. , 2021, 11 , 40072–40084. DOI: 10.1039/D1RA06994B.

Geometrical and electronic structures of the 13-atom clusters Al x Sc y with x + y = 13, as well as their thermodynamic stabilities were investigated using DFT calculations. Both anionic and neutral isomers of Al x Sc y were found to retain an icosahedral shape of both Al13 and Sc13 systems in which an Al atom occupies the endohedral central positi...

We demonstrate a dual-band, polarization-insensitive, ultrathin and flexible metamaterial absorber (MA), based on high-order magnetic resonance. By exploiting a flexible polyimide substrate, the thickness of MA came to be 1/148 of the working wavelength. The absorption performance of the proposed structure was investigated for both planar and bendi...

In this study, we present a comprehensive dual-band ambient radio-frequency (RF) energy harvesting system, consisting of rectenna and power management circuit, to harvest energy from 2.45 and 5.8 GHz Wi-Fi. The rectenna employs a metamaterial antenna based on a split-ring resonator, which possesses omni-directional radiation pattern at both frequen...

Understanding the thermodynamics and kinetics of the binding process of an antibody to the SARS-CoV-2 receptor-binding domain (RBD) of the spike protein is very important for the development of COVID-19 vaccines. In particular, it is essential to understand how the binding mechanism may change under the effects of RBD mutations. In this context, we...

In this work, we proposed a flexible broadband metamaterial perfect absorber (FBMPA) by exploiting a pasted conductive-graphene ink on a polyimide substrate. For the flat FBMPA, an absorption over 90% was found to cover a wide frequency range (from 7.88 to 18.01 GHz). The high-absorption feature was polarization-insensitive and regarded as stable w...

AutoDock Vina (Vina) achieved a very high docking-success rate, p ̂, but give a rather low correlation coefficient, R, for binding affinity with respect to experiments. This low correlation can be an obstacle for ranking of ligand-binding affinity, which is the main objective of docking simulations. In this context, we evaluated the dependence of V...

AutoDock Vina (Vina) achieved a very high docking-success rate, p ̂, but give a rather low correlation coefficient, R, for binding affinity with respect to experiments. This low correlation can be an obstacle for ranking of ligand-binding affinity, which is the main objective of docking simulations. In this context, we evaluated the dependence of V...

Thin metallic buffer layers are commonly used between semiconductor substrates and noble metal films or nanostructures. We propose an extended two-temperature heat transfer model that can be used to investigate the heat flow in multilayer antennas and includes metallic layers, a dielectric substrate, and their respective interfaces. It is demonstra...

The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has been causing the COVID-19 pandemic resulting in several million death were reported. Numerous investigations have been carried out to discover a compound that can inhibit the biological activity of SARS-CoV-2 main protease, which is an enzyme related to the viral replication. Amon...

The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has been causing the COVID-19 pandemic resulting in several million death were reported. Numerous investigations have been carried out to discover a compound that can inhibit the biological activity of SARS-CoV-2 main protease, which is an enzyme related to the viral replication. Amon...

Synthesizing novel photocatalysts that can effectively harvest photon energy over a wide range of the solar spectrum for practical applications is vital. Porphyrin-derived nanostructures with properties similar to those of chlorophyll have emerged as promising candidates to meet this requirement. In this study, tetrakis(4-carboxyphenyl) porphyrin (...

Binary clusters of transition-metal and noble-metal elements have been gathering momentum for not only advanced fundamental understanding but also potential as elementary blocks of novel nanostructured materials. In this regard, the geometries, electronic structures, stability, and magnetic properties of Cr-doped Cun, Agn, and Aun clusters (n = 2–2...

In this work, a dual-polarized wide-angle energy harvester operating at 3.75 GHz is proposed for ambient RF energy harvesting applications. A 4x4 array harvester can efficiently harvest incident RF waves from all polarizations, resulting in high RF-AC efficiency of 94% and final RF-DC efficiency of 34% at 0.02 W/m2 input power density, or -15 dBm i...

According to the previous benchmark, Autodock Vina (Vina) achieved a very high successful-docking rate, p ̂, but give a rather a low correlation coefficient, R, for binding affinity with respect to experiment. This low correlation can be an obstacle for ranking of ligand-binding affinity, which is a main objective of docking simulations. The accura...

According to the previous benchmark, Autodock Vina (Vina) achieved a very high successful-docking rate, p ̂, but give a rather a low correlation coefficient, R, for binding affinity with respect to experiment. This low correlation can be an obstacle for ranking of ligand-binding affinity, which is a main objective of docking simulations. The accura...

Composites of refluxed carbon nanotubes (CNTs) at different contents and orthorhombic tungsten oxide hydrate (WO3bold dotH2O) were prepared via acid precipitation at room temperature. The CNTs produced a new phase of monoclinic tungsten oxide dihydrate WO3bold dot2H2O, caused the breakage of WO3bold dotH2O nanoplates, and affected the microstrain i...

Metamaterial absorbers are usually made of resonant structures backed by a metallic reflector, relying solely on the ohmic and dielectric losses generated by magnetic resonance. In this work, we apply an alternate approach to obtain absorption by overlapping magnetic and electric resonances in a conventional cut-wire-pair metamaterial. A terahertz...

Increasing interest has been paid for metamaterial absorbers owing to their huge potential in energy harvesting. However, only few existing absorbers have the ability of harvesting the energy from arbitrarily polarized waves without assigning diodes to every unit cells, limiting their applicability and lowering the overall efficiency. In this work,...

Tungsten oxide hydrate (WO3.H2O) nanoplates were in situ functionalized with AgNO3 via a one-step acid precipitation method at room temperature. The functionalized product was the nanocomposite of Ag2WO4 and WO3.H2O. Both pristine and functionalized samples had nanoplate morphology. The nanoplates' dimension and uniformity decreased with the increa...

To achieve broadband negative refraction, which is useful for many practical applications, recent studies have shown that the use of hybridization is one of the most effective methods. Nevertheless, reported studies often propose changing structural parameters rather than external factors. In this article, a method to control actively the bandwidth...

In this work, we theoretically investigate the multilayer absorber with metal/ dielectric/metal functional layers. The model is tested by the numerical simulations, yielding agreeable results with analytical calculations for the number of layers up to 40. From that model, an approach to achieve wideband absorption is deduced: by either adding more...

Metamaterial absorbers with excellent absorption properties and real-time tunability are desirable for practical applications. In this paper, we design and numerically investigate a polarization insensitive wide-angle metamaterial absorber with tunable absorption strength formed by finite-length symmetric metallic plates and graphene sheet. This st...

div> Understanding thermodynamics and kinetics of the binding process of an antibody to SARS-CoV-2 receptor-binding domain (RBD) of Spike protein is very important for the development of COVID19 vaccines. Especially, it is essential to understand how the binding mechanism may change under the effects of RBD mutations. In this context, we have demo...

In this work, we propose a simple method to characterize the broadband absorption of different sizes of iron (Fe) nanoparticles. The absorption feature in the Ku-band (14–18 GHz) of paint/Fe nanocomposites with different Fe concentration is systematically investigated. The experiments confirm that the proposed samples can maintain a broadband absor...

THz metamaterial absorbers are often studied by computational techniques, where the influence of actual material parameters and fabricating limitation has not been completely understood. Here we present an experimental investigation on a far-infrared metamaterial absorber composed of a gold disk-shaped resonator, a silicon oxide spacer, and a gold...

Multi-functional microwave metamaterials offer a great solution for active components and modules that are potentially applicable for stealth, energy, and wireless communication systems/devices. However, it is challenging to realize a multi-functional behavior in a cost-effective and simple metamaterial system. This paper herein proposes and demons...

SARS-CoV-2 rapidly infects millions of people worldwide since December 2019. There is still no effective treatment for the virus, resulting in the death of more than one million patients. Inhibiting the activity of SARS-CoV-2 main protease (Mpro), 3C-like protease (3CLP), is able to block the viral replication and proliferation. In this context, ou...

Metamaterial absorbers with the resonator/dielectric/metallic-mirror conventional design are often angle-dependent and completely reflective outside the absorption band. Here we propose a novel solution to achieve an angle-insensitive bidirectional absorber operating at the transmission mode using a simple metamaterial system. The proposed system i...

The picosecond dynamics of excited charge carriers in the silicon substrate of THz metamaterial antennas was studied at different wavelengths. Time-resolved THz pump-THz probe spectroscopy was performed with light from a tunable free electron laser in the 9.3-16.7 THz frequency range using fluences of 2-12 J/m2. Depending on the excitation waveleng...

The main protease (Mpro) of the novel coronavirus SARS-CoV-2, which has caused the COVID-19 pandemic, is responsible for the maturation of its key proteins. Thus, inhibiting SARS-CoV-2 Mpro could prevent SARS-CoV-2 from multiplying. Because new inhibitors require thorough validation, repurposing current drugs could help reduce the validation proces...

Multi-band metamaterial absorbers have been of great interest owing to their potentials for a wide range of communicating, sensing, imaging, and energy harvesting applications. In this work, we experimentally investigate a four-band metamaterial absorber operating at THz frequencies. The metamaterials are fabricated using the maskless UV photolitho...