Qi An

ORCID: 0000-0003-4838-6232
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About
Contact & Profiles
Research Areas
  • Particle Detector Development and Performance
  • Particle physics theoretical and experimental studies
  • Radiation Detection and Scintillator Technologies
  • Quantum Chromodynamics and Particle Interactions
  • Boron and Carbon Nanomaterials Research
  • Nuclear Physics and Applications
  • Astrophysics and Cosmic Phenomena
  • High-Energy Particle Collisions Research
  • Diamond and Carbon-based Materials Research
  • Dark Matter and Cosmic Phenomena
  • Advancements in PLL and VCO Technologies
  • Neutrino Physics Research
  • Metallic Glasses and Amorphous Alloys
  • Nuclear reactor physics and engineering
  • High-pressure geophysics and materials
  • Energetic Materials and Combustion
  • Atomic and Subatomic Physics Research
  • Material Dynamics and Properties
  • Analog and Mixed-Signal Circuit Design
  • MXene and MAX Phase Materials
  • Metal and Thin Film Mechanics
  • Radiation Therapy and Dosimetry
  • CCD and CMOS Imaging Sensors
  • Advanced Photocatalysis Techniques
  • Advanced ceramic materials synthesis

Iowa State University
2022-2025

University of Science and Technology of China
2016-2025

Institute of High Energy Physics
2019-2025

Shanghai Dianji University
2024-2025

University of Chinese Academy of Sciences
2025

Bissell (United States)
2025

Hunan Institute of Science and Technology
2019-2025

Chinese Academy of Sciences
2010-2025

State Key Joint Laboratory of Environment Simulation and Pollution Control
2023-2025

Research Center for Eco-Environmental Sciences
2023-2025

Artificial photosynthesis from CO2 reduction is severely hampered by the kinetically challenging multi-electron reaction process. Oxygen vacancies (Vo) with abundant localized electrons have great potential to overcome this limitation. However, surface Vo usually low concentrations and are easily oxidized, causing them lose their activities. For practical application of photoreduction, fabricating enhancing stability on semiconductors indispensable. Here we report first synthesis ultrathin...

10.1021/jacs.8b03316 article EN Journal of the American Chemical Society 2018-04-30

We report on large-scale nonequilibrium molecular dynamics simulations of shock wave compression in tantalum single crystals. Two new embedded atom method interatomic potentials Ta have been developed and optimized by fitting to experimental density functional theory data. The reproduce the isothermal equation state up 300 GPa. examined nature plastic deformation elastic limits as functions crystal orientation. Shock waves along (100), (110), (111) exhibit elastic-plastic two-wave...

10.1103/physrevb.88.134101 article EN Physical Review B 2013-10-03

An efficient and sustainable production of ammonia from water air under simulated solar light is achieved using a BiO photocatalyst.

10.1039/c6ta09275f article EN cc-by-nc Journal of Materials Chemistry A 2016-11-15

The Haber-Bosch industrial process for synthesis of ammonia (NH3) from hydrogen and nitrogen produces the millions tons gas annually needed to produce nitrates fertilizers required feed earth's growing populations. This has been optimized extensively, but it still uses enormous amounts energy (2% world's supply), making essential dramatically improve its efficiency. To provide guidelines accelerate this improvement, we used quantum mechanics predict reaction mechanisms kinetics NH3 on...

10.1021/jacs.7b13409 article EN Journal of the American Chemical Society 2018-04-27

Sr0.7Bi0.2TiO3 (SBT) is a promising pulse energy storage material due to minor hysteresis, but its low maximum polarization (Pmax) bad for storage. K+–Bi3+ defect pairs were introduced into the A-site of SBT obtain Sr0.35Bi0.35K0.25TiO3 (SBKT) with larger Pmax. Through first-principles calculations, we determined that introduction destroys paraelectric order phase and increases local polarization, resulting in more polar nanoregion (PNR) formation. On this basis, doping NaNbO3 (NN) A-...

10.1021/acsami.1c04274 article EN ACS Applied Materials & Interfaces 2021-05-20

Abstract We present the first catalog of very-high-energy and ultra-high-energy gamma-ray sources detected by Large High Altitude Air Shower Observatory. The was compiled using 508 days data collected Water Cherenkov Detector Array from 2021 March to 2022 September 933 recorded Kilometer Squared 2020 January September. This represents main result most sensitive large coverage survey sky above 1 TeV, covering decl. −20° 80°. In total, contains 90 with an extended size smaller than 2° a...

10.3847/1538-4365/acfd29 article EN cc-by The Astrophysical Journal Supplement Series 2024-02-27

Ammonia-selective catalytic oxidation (NH3-SCO) is an effective technology to solve the problem of ammonia leakage from diesel vehicles, while catalysts (AOC) still suffer insufficient low-temperature activity and poor nitrogen selectivity. Herein, we prepared a bifunctional Pt/Cu-SSZ-13 catalyst containing SCO component (Pt) selective reduction (SCR) (Cu). This exhibited excellent performance during NH3 under practical conditions water vapor, achieving >85% N2 selectivity over whole...

10.1021/acscatal.3c01322 article EN ACS Catalysis 2023-05-04

The beta decay of the lightest charmed baryon $${\Lambda }_{c}^{+}$$ provides unique insights into fundamental mechanism strong and electro-weak interactions, serving as a testbed for investigating non-perturbative quantum chromodynamics constraining Cabibbo-Kobayashi-Maskawa (CKM) matrix parameters. This article presents first observation Cabibbo-suppressed }_{c}^{+}\to n{e}^{+}{\nu }_{e}$$ , utilizing 4.5 fb−1 electron-positron annihilation data collected with BESIII detector. A novel...

10.1038/s41467-024-55042-y article EN cc-by-nc-nd Nature Communications 2025-01-15

We investigate spallation in solid and liquid Cu at high strain rates induced by planar shock loading with classical molecular dynamics. Shock simulations are performed different initial temperatures stresses but similar (ε̇∼1010–1011s−1). The anisotropy spall strength (σsp) is explored for five crystallographic orientations, ⟨100⟩, ⟨110⟩, ⟨111⟩, ⟨114⟩, ⟨123⟩. For liquid, we examine shock- release-induced melts as well premelted Cu. acoustic method deducing σsp ε̇ a reasonable first-order...

10.1063/1.3158062 article EN Journal of Applied Physics 2009-07-01

Boron carbide (B4C) is very hard, but its applications are hindered by stress-induced amorphous band formation. To explain this behavior, we used density function theory (Perdew-Burke-Ernzerhof flavor) to examine the response shear along 11 plausible slip systems. We found that (0111)/<1101> system has lowest strength (consistent with previous experimental studies) and leads a unique plastic deformation before failure in which boron-carbon bond between neighboring icosahedral clusters breaks...

10.1103/physrevlett.113.095501 article EN Physical Review Letters 2014-08-28

Ceramics are strong, but their low fracture toughness prevents extended engineering applications. In particular, boron carbide (B(4)C), the third hardest material in nature, has not been incorporated into many commercial applications because it exhibits anomalous failure when subjected to hypervelocity impact. To determine atomistic origin of this brittle failure, we performed large-scale (∼200,000 atoms/cell) reactive-molecular-dynamics simulations shear deformations B(4)C, using...

10.1103/physrevlett.115.105501 article EN publisher-specific-oa Physical Review Letters 2015-08-31

Percolating cluster, factal structure Metallic glasses are appealing materials because they strong and can bend without breaking. These disordered but possess none of the defects seen in crystalline counterparts. Chen et al. developed a model for metallic which clusters atoms float free liquid, begin to jam, finally organize into short-range fractal below glass transition temperature. This also accounted density high strength characteristics bulk samples. Science , this issue p. 1306

10.1126/science.aab1233 article EN Science 2015-09-18

We report tensile experiments on Ni80P20 metallic glass samples fabricated via a templated electroplating process and focused ion beam milling, which differed only in their surface energy states: Ga-ion-irradiated as-electroplated. Molecular dynamics simulations similar Ni80Al20 systems corroborate the experimental results, suggest that transition from brittle to ductile behavior is driven by sample size, while extent of ductility state.

10.1021/nl402384r article EN Nano Letters 2013-08-26

Dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate (TKX-50) is a recently synthesized energetic material (EM) with most promising performance, including high energy content, density, low sensitivity, and toxicity. TKX-50 forms an ionic crystal in which the unit cell contains two bistetrazole dianions {c-((NO)N3C)-[c-(CN3(NO)], formal charge of −2} four hydroxylammonium (NH3OH)+ cations (formal +1). We report here quantum mechanics (QM)-based reaction studies to determine atomistic mechanisms...

10.1021/jp509582x article EN The Journal of Physical Chemistry C 2014-10-29

TNT/CL-20 cocrystal is less sensitive than CL-20 crystal and the physical mixture of more TNT crystal.

10.1039/c4ta06858k article EN Journal of Materials Chemistry A 2015-01-01

The recent observation of the reverse Hall-Petch relation in nanocrystalline ceramics offers a possible pathway to achieve enhanced ductility for traditional brittle via nanosize effect, just as metals and alloys. However, underlying deformation mechanisms have not been well established. Here we combine reactive molecular dynamics (RMD) simulations experimental transmission electron microscopy determine atomic level boron carbide (B_{4}C). We performed large-scale (up ∼3 700 000 atoms)...

10.1103/physrevlett.121.145504 article EN publisher-specific-oa Physical Review Letters 2018-10-04
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