Oxygen deficient α-MoO3 with enhanced adsorption and state-quenching of H2O for gas sensing: a DFT study

Emerging 2D metal oxides and their applications

(2021) Partha Kumbhakar et al.   Materials Today

Alternative‐Ultrathin Assembling of Exfoliated Manganese Dioxide and Nitrogen‐Doped Carbon Layers for High‐Mass‐Loading Supercapacitors with Outstanding Capacitance and Impressive Rate Capability

(2021) Jae‐Min Jeong et al.   ADVANCED FUNCTIONAL MATERIALS

Effect of Oxygen Vacancies on Adsorption of Small Molecules on Anatase and Rutile TiO2 Surfaces: A Frontier Orbital Approach

(2021) Nobutsugu Hamamoto et al.   Journal of Physical Chemistry C

Activating Layered Metal Oxide Nanomaterials via Structural Engineering as Biodegradable Nanoagents for Photothermal Cancer Therapy

(2021) Zhan Zhou et al.   Small

Chemical Interaction at the MoO3/CH3NH3PbI3–xClx Interface

(2021) Xiaxia Liao et al.   ACS Applied Materials & Interfaces

Surface oxygen vacancies on reduced Co3O4(100): superoxide formation and ultra‐low‐temperature CO oxidation

(2021) Yun Liu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Improving the Thermal Expansion and Capacitance Properties of MoO3 by Introducing Oxygen Vacancies

(2021) Yangming Hu et al.   Journal of Physical Chemistry C

Hybridized Hyperbolic Surface Phonon Polaritons at α-MoO3 and Polar Dielectric Interfaces

(2021) Qing Zhang et al.   NANO LETTERS

Synthesis of Two-Dimensional Plasmonic Molybdenum Oxide Nanomaterials by Femtosecond Laser Irradiation

(2021) Fan Ye et al.   CHEMISTRY OF MATERIALS

An ultrasensitive molybdenum-based double-heterojunction phototransistor

(2021) Shun Feng et al.   Nature Communications

High‐Capacity and Kinetically Accelerated Lithium Storage in MoO 3 Enabled by Oxygen Vacancies and Heterostructure

(2021) Yingying Zhang et al.   Advanced Energy Materials

Plasmonic Oxygen Defects in MO 3− x (M = W or Mo) Nanomaterials: Synthesis, Modifications, and Biomedical Applications

(2021) Mingzhu Zhou et al.   Advanced Healthcare Materials

Oxygen-deficient metal oxides supported nano-intermetallic InNi3C0.5 toward efficient CO2 hydrogenation to methanol

(2021) Chao Meng et al.   Science Advances

Multiple cell death pathways triggered by temperature-mediated synergistic effect derived from chiral phototheranostic ablation nanoagents

(2021) Jun Miao et al.   Applied Materials Today

VASPKIT: A user-friendly interface facilitating high-throughput computing and analysis using VASP code

(2021) Vei Wang et al.   COMPUTER PHYSICS COMMUNICATIONS

Confined synthesis of 2D ultrathin ZnO/Co3O4 nanomeshes heterostructure for superior triethylamine detection at low temperature

(2021) Ya Xiong et al.   SENSORS AND ACTUATORS B-CHEMICAL

Surface Adsorption and Vacancy in Tuning the Properties of Tellurene

(2020) Wangping Xu et al.   ACS Applied Materials & Interfaces

Infrared Permittivity of the Biaxial van der Waals Semiconductor α‐MoO 3 from Near‐ and Far‐Field Correlative Studies

(2020) Gonzalo Álvarez‐Pérez et al.   ADVANCED MATERIALS

Topological polaritons and photonic magic angles in twisted α-MoO3 bilayers

(2020) Guangwei Hu et al.   NATURE

Adsorption and diffusion behaviors of H2, H2S, NH3, CO and H2O gases molecules on MoO3 monolayer: A DFT study

(2020) Ke Xu et al.   PHYSICS LETTERS A

A Novel α‐MoO 3 /Single‐Walled Carbon Nanohorns Composite as High‐Performance Anode Material for Fast‐Charging Lithium‐Ion Battery

(2020) Sumit Ranjan Sahu et al.   Advanced Energy Materials

Unique bi-directional coordinative interaction of 2D inorganic nanosheet with Prussian blue nanocrystal for optimizing its functionality

(2020) Xiaoyan Jin et al.   Nano Energy

Ultrahigh Areal Capacity Hydrogen‐Ion Batteries with MoO 3 Loading Over 90 mg cm −2

(2020) Zhen Su et al.   ADVANCED FUNCTIONAL MATERIALS

Molybdenum Trioxide (α-MoO3) Nanoribbons for Ultrasensitive Ammonia (NH3) Gas Detection: Integrated Experimental and Density Functional Theory Simulation Studies

(2019) Dongwook Kwak et al.   ACS Applied Materials & Interfaces

Creating oxygen-vacancies in MoO3- nanobelts toward high volumetric energy-density asymmetric supercapacitors with long lifespan

(2019) Jiao Yang et al.   Nano Energy

Stabilized Molybdenum Trioxide Nanowires as Novel Ultrahigh‐Capacity Cathode for Rechargeable Zinc Ion Battery

(2019) Xinjun He et al.   Advanced Science

Predicting gases sensing performance of α-MoO3 from nano-structural and electronic properties

(2019) Ke Xu et al.   APPLIED SURFACE SCIENCE

A first-principles study on the adsorption of small molecules on antimonene: oxidation tendency and stability

(2018) Andrey A. Kistanov et al.   Journal of Materials Chemistry C

Silicon oxycarbide-derived carbon as potential NO2 gas sensor: a first principles study

(2018) Ningbo Liao et al.   IEEE ELECTRON DEVICE LETTERS

Highly efficient charge transfer through a double Z-scheme mechanism by a Cu-promoted MoO3/g-C3N4 hybrid nanocomposite with superior electrochemical and photocatalytic performance

(2018) Sulagna Patnaik et al.   Nanoscale

In-plane anisotropic and ultra-low-loss polaritons in a natural van der Waals crystal

(2018) Weiliang Ma et al.   NATURE

Defect-Engineered Ultrathin δ-MnO2 Nanosheet Arrays as Bifunctional Electrodes for Efficient Overall Water Splitting

(2017) Yunxuan Zhao et al.   Advanced Energy Materials

Modulating Carrier Density and Transport Properties of MoS2 by Organic Molecular Doping and Defect Engineering

(2016) Yongqing Cai et al.   CHEMISTRY OF MATERIALS

Ab Initio Study of the Adsorption of Small Molecules on Stanene

(2016) Xianping Chen et al.   Journal of Physical Chemistry C

Highly Itinerant Atomic Vacancies in Phosphorene

(2016) Yongqing Cai et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Oxygen vacancies enhance pseudocapacitive charge storage properties of MoO3−x

(2016) Hyung-Seok Kim et al.   NATURE MATERIALS

Vacancy formation in MoO3: hybrid density functional theory and photoemission experiments

(2016) Salawu Omotayo Akande et al.   Journal of Materials Chemistry C

The role of H2O and O2molecules and phosphorus vacancies in the structure instability of phosphorene

(2016) Andrey A Kistanov et al.   2D Materials

Energetics, Charge Transfer, and Magnetism of Small Molecules Physisorbed on Phosphorene

(2015) Yongqing Cai et al.   Journal of Physical Chemistry C

Photooxidation and quantum confinement effects in exfoliated black phosphorus

(2015) Alexandre Favron et al.   NATURE MATERIALS

Investigation of hole injection enhancement by MoO3 buffer layer in organic light emitting diodes

(2014)   JOURNAL OF APPLIED PHYSICS

Transition Metal Oxide Work Functions: The Influence of Cation Oxidation State and Oxygen Vacancies

(2012) Mark T. Greiner et al.   ADVANCED FUNCTIONAL MATERIALS

Effect of the damping function in dispersion corrected density functional theory

(2011) Stefan Grimme et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS