Tuan V. Vu
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View article: Ab initio Calculations of the Electronic-Energy Structure and Optical Properties of Lanthanum and Neodymium Pyrozirconates
Ab initio Calculations of the Electronic-Energy Structure and Optical Properties of Lanthanum and Neodymium Pyrozirconates Open
Introduction. Compounds with lanthanum and neodymium (La 2 Zr 2 O 7 and Nd 2 Zr 2 O 7 ) have low thermal conductivity, high permittivity and melting point, stability and resistance to defects. They can be used for thermal insulation of met…
View article: Two-dimensional TaS<sub>2</sub> as a contact material for MXene Sc<sub>2</sub>CF<sub>2</sub> semiconductors: a first-principles study
Two-dimensional TaS<sub>2</sub> as a contact material for MXene Sc<sub>2</sub>CF<sub>2</sub> semiconductors: a first-principles study Open
Metal–semiconductor heterojunctions are fundamental to modern electronics, serving as the key interface for charge transport and enabling diverse functionalities in electronic and optoelectronic devices.
View article: First-principles investigation of the electronic, piezoelectric and transport properties of InSeX (X = Cl, Br, I) monolayers
First-principles investigation of the electronic, piezoelectric and transport properties of InSeX (X = Cl, Br, I) monolayers Open
First-principles calculation was performed to study InSeX (X = Cl, Br, and I) monolayers, which are formed by the breaking of In–In bonds in InSe monolayers through full halogenation.
View article: Enhancing InSe monolayer <i>via</i> full hydrogenation: insights into electronic structure, piezoelectricity, and charge mobility
Enhancing InSe monolayer <i>via</i> full hydrogenation: insights into electronic structure, piezoelectricity, and charge mobility Open
Effect of full hydrogenation on the structural and electronic properties of the InSe monolayer.
View article: BP <sub>3</sub> Monolayer as a High-Capacity and Rapid-Diffusion Anode for Sodium-Ion Batteries: A First-Principles Study
BP <sub>3</sub> Monolayer as a High-Capacity and Rapid-Diffusion Anode for Sodium-Ion Batteries: A First-Principles Study Open
The rapid development of sodium-ion batteries (SIBs) as a cost-effective alternative to lithium-ion technology demands the discovery of high-performance anode materials with large capacity, good stability, and fast ion transport....
View article: Novel auxetic semiconductors with high carrier mobility: first principles prediction of Janus Ge<sub>2</sub>XY (X/Y = S, Se, Te) monolayers
Novel auxetic semiconductors with high carrier mobility: first principles prediction of Janus Ge<sub>2</sub>XY (X/Y = S, Se, Te) monolayers Open
Recently, auxetic materials have attracted attention due to their unusual behavior and multifunctional applications.
View article: ĐẶC ĐIỂM LÂM SÀNG, CẬN LÂM SÀNG CỦA BỆNH NHÂN UNG THƯ BIỂU MÔ TUYẾN GIÁP BIỆT HÓA KHÁNG 131I TẠI BỆNH VIỆN TRUNG ƯƠNG THÁI NGUYÊN
ĐẶC ĐIỂM LÂM SÀNG, CẬN LÂM SÀNG CỦA BỆNH NHÂN UNG THƯ BIỂU MÔ TUYẾN GIÁP BIỆT HÓA KHÁNG 131I TẠI BỆNH VIỆN TRUNG ƯƠNG THÁI NGUYÊN Open
Mục tiêu: Khảo sát một số đặc điểm lâm sàng, cận lâm sàng của bệnh nhân ung thư biểu mô tuyến giáp thể biệt hóa kháng 131I tại Bệnh viện Trung ương Thái Nguyên. Đối tượng và phương pháp nghiên cứu: Nghiên cứu mô tả tiến cứu tiến hành trên …
View article: Janus TiSi <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:mi>Z</mml:mi> </mml:mrow> </mml:math> <sub>3</sub>H ( <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:mi>Z</mml:mi> <mml:mo>=</mml:mo> </mml:mrow> </mml:math> N, P, As) monolayers with large out-of-plane piezoelectricity and high electron mobility: first-principles study
Janus TiSi <sub>3</sub>H ( N, P, As) monolayers with large out-of-plane piezoelectricity and high electron mobility: first-principles study Open
In this paper, we propose a series of novel two-dimensional Janus structures TiSi Z 3 H ( N, P, As) and investigate their electronic, mechanical, piezoelectric, and transport properties using the density functional theory. The examined…
View article: Erratum: “Induced out-of-plane piezoelectricity and giant Rashba spin splitting in Janus WSi<i>Z</i>3H (<i>Z</i> = N, P, As) monolayers toward next-generation electronic devices” [J. Appl. Phys. 135, 074301 (2024)]
Erratum: “Induced out-of-plane piezoelectricity and giant Rashba spin splitting in Janus WSi<i>Z</i>3H (<i>Z</i> = N, P, As) monolayers toward next-generation electronic devices” [J. Appl. Phys. 135, 074301 (2024)] Open
View article: Induced out-of-plane piezoelectricity and giant Rashba spin splitting in Janus WSi<i>Z</i>3H (<i>Z</i> = N, P, As) monolayers toward next-generation electronic devices
Induced out-of-plane piezoelectricity and giant Rashba spin splitting in Janus WSi<i>Z</i>3H (<i>Z</i> = N, P, As) monolayers toward next-generation electronic devices Open
Two-dimensional (2D) piezoelectric nanomaterials have widely been studied recently due to their promise for various applications in technology. Investigation of vertical piezoelectricity will contribute to a deeper understanding of the int…
View article: Piezoelectric GaGeX<sub>2</sub> (X = N, P, and As) semiconductors with Raman activity and high carrier mobility for multifunctional applications: a first-principles simulation
Piezoelectric GaGeX<sub>2</sub> (X = N, P, and As) semiconductors with Raman activity and high carrier mobility for multifunctional applications: a first-principles simulation Open
In the present work, we propose GaGeX 2 (X = N, P, As) monolayers and explore their structural, vibrational, piezoelectric, electronic, and transport characteristics for multifunctional applications based on first-principles simulations.
View article: First-principles prediction of the electronic properties and contact features of graphene/γ-GeSe van der Waals heterostructure: effects of electric fields and strains
First-principles prediction of the electronic properties and contact features of graphene/γ-GeSe van der Waals heterostructure: effects of electric fields and strains Open
In this work, we investigate systematically the electronic properties and tunable contact behavior of the graphene/γ-GeSe heterostructure under applied electric fields and out-of-plane strains using first-principles calculations.
View article: A first-principles prediction of novel Janus ZrGeZ<sub>3</sub>H (Z = N, P, and As) monolayers: Raman active modes, piezoelectric responses, electronic properties, and carrier mobility
A first-principles prediction of novel Janus ZrGeZ<sub>3</sub>H (Z = N, P, and As) monolayers: Raman active modes, piezoelectric responses, electronic properties, and carrier mobility Open
In this article, an attempt is made to explore new materials for applications in piezoelectric and electronic devices.
View article: Theoretical Prediction of the Gas Adsorption-Sensing Properties of Xsb (X = Si, Ge, Sn) Monolayers from Dft and Negf Calculations
Theoretical Prediction of the Gas Adsorption-Sensing Properties of Xsb (X = Si, Ge, Sn) Monolayers from Dft and Negf Calculations Open
View article: Monolayers Sn<sub>2</sub>Te<sub>2</sub>X<sub>4</sub> (X = P, As) as promising materials for photocatalytic water splitting and flexible devices: a DFT study
Monolayers Sn<sub>2</sub>Te<sub>2</sub>X<sub>4</sub> (X = P, As) as promising materials for photocatalytic water splitting and flexible devices: a DFT study Open
Photocatalysts Sn 2 Te 2 X 4 (X = P, As) exhibit a high light absorption rate and possess appropriate electronic structures for the function of water splitting.
View article: Large piezoelectric responses and ultra-high carrier mobility in Janus HfGeZ<sub>3</sub>H (Z = N, P, As) monolayers: a first-principles study
Large piezoelectric responses and ultra-high carrier mobility in Janus HfGeZ<sub>3</sub>H (Z = N, P, As) monolayers: a first-principles study Open
Breaking structural symmetry in two-dimensional layered Janus materials can result in enhanced new phenomena and create additional degrees of piezoelectric responses.
View article: Insights from Experiment and Theory on Peculiarities of the Electronic Structure and Optical Properties of the Tl<sub>2</sub>HgGeSe<sub>4</sub> Crystal
Insights from Experiment and Theory on Peculiarities of the Electronic Structure and Optical Properties of the Tl<sub>2</sub>HgGeSe<sub>4</sub> Crystal Open
Tl2HgGeSe4 crystal was successfully, for the first time, synthesized by the Bridgman-Stockbarger technology, and its electronic structure and peculiarities of optical constants were investigated using both experimenta…
View article: Theoretical and Experimental Advances in High-Pressure Behaviors of Nanoparticles
Theoretical and Experimental Advances in High-Pressure Behaviors of Nanoparticles Open
Using compressive mechanical forces, such as pressure, to induce crystallographic phase transitions and mesostructural changes while modulating material properties in nanoparticles (NPs) is a unique way to discover new phase behaviors, cre…
View article: CSD 2267920: Experimental Crystal Structure Determination
CSD 2267920: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: Energetic and structural transformation during the alignment stage of oriented attachment of gibbsite nanoparticles
Energetic and structural transformation during the alignment stage of oriented attachment of gibbsite nanoparticles Open
View article: Electronic and optical properties of thiogermanate AgGaGeS<sub>4</sub>: theory and experiment
Electronic and optical properties of thiogermanate AgGaGeS<sub>4</sub>: theory and experiment Open
The electronic and optical properties of a AgGaGeS 4 crystal were studied by first-principles calculations, and experimental X-ray photoelectron and emission spectra were measured to verify the theoretical data.
View article: Correction: The theoretical prediction of the structural characteristics and SO<sub>2</sub> adsorption-sensing properties of pristine HfS<sub>2</sub> and TM-doped HfS<sub>2</sub> monolayers (TM = Ni, Pd, or Pt)
Correction: The theoretical prediction of the structural characteristics and SO<sub>2</sub> adsorption-sensing properties of pristine HfS<sub>2</sub> and TM-doped HfS<sub>2</sub> monolayers (TM = Ni, Pd, or Pt) Open
Correction for ‘The theoretical prediction of the structural characteristics and SO 2 adsorption-sensing properties of pristine HfS 2 and TM-doped HfS 2 monolayers (TM = Ni, Pd, or Pt)’ by Tuan V. Vu et al. , New J. Chem. , 2023, https://d…
View article: CSD 2126666: Experimental Crystal Structure Determination
CSD 2126666: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: First-principles study on the structural properties of 2D MXene SnSiGeN<sub>4</sub>and its electronic properties under the effects of strain and an external electric field
First-principles study on the structural properties of 2D MXene SnSiGeN<sub>4</sub>and its electronic properties under the effects of strain and an external electric field Open
The MXene SnSiGeN 4 monolayer as a new member of the MoSi 2 N 4 family was proposed for the first time, and its structural and electronic properties were explored by applying first-principles calculations with both PBE and hybrid HSE06 app…
View article: Novel Janus GaInX<sub>3</sub> (X = S, Se, Te) single-layers: first-principles prediction on structural, electronic, and transport properties
Novel Janus GaInX<sub>3</sub> (X = S, Se, Te) single-layers: first-principles prediction on structural, electronic, and transport properties Open
In this paper, the structural, electronic, and transport properties of Janus GaInX 3 (X = S, Se, Te) single-layers are investigated by a first-principles calculations.
View article: Theoretical prediction of Janus PdXO (X = S, Se, Te) monolayers: structural, electronic, and transport properties
Theoretical prediction of Janus PdXO (X = S, Se, Te) monolayers: structural, electronic, and transport properties Open
Due to the broken vertical symmetry, the Janus material possesses many extraordinary physico-chemical and mechanical properties that cannot be found in original symmetric materials.
View article: Layered post-transition-metal dichalcogenide SnGe<sub>2</sub>N<sub>4</sub> as a promising photoelectric material: a DFT study
Layered post-transition-metal dichalcogenide SnGe<sub>2</sub>N<sub>4</sub> as a promising photoelectric material: a DFT study Open
The promising photoelectric semiconductor 2H SnGe 2 N 4 has a tunable electronic structure which is favorable for the absorption of light in the infrared and visible regions.
View article: A new family of NaTMGe (TM = 3d transition metals) half-Heusler compounds: the role of TM modification
A new family of NaTMGe (TM = 3d transition metals) half-Heusler compounds: the role of TM modification Open
Band structures of NaTMGe half-Heusler compounds.
View article: Electronic structure and interface contact of two-dimensional van der Waals boron phosphide/Ga<sub>2</sub>SSe heterostructures
Electronic structure and interface contact of two-dimensional van der Waals boron phosphide/Ga<sub>2</sub>SSe heterostructures Open
In this work, we systematically examine the electronic features and contact types of van der Waals heterostructures (vdWHs) combining single-layer boron phosphide (BP) and Janus Ga 2 SSe using first-principles calculations.
View article: Antiferromagnetic ordering in the TM-adsorbed AlN monolayer (TM = V and Cr)
Antiferromagnetic ordering in the TM-adsorbed AlN monolayer (TM = V and Cr) Open
The effects of transition metal (TM = V and Cr) adsorption on AlN monolayer electronic and magnetic properties are investigated using first-principles density functional theory calculations.