Qiang Xu

ORCID: 0000-0003-3747-4325
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Research Areas
  • X-ray Diffraction in Crystallography
  • Crystallization and Solubility Studies
  • Graphene research and applications
  • Advanced Chemical Physics Studies
  • Supercapacitor Materials and Fabrication
  • Advancements in Battery Materials
  • Caching and Content Delivery
  • Diamond and Carbon-based Materials Research
  • Semiconductor materials and devices
  • Carbon Nanotubes in Composites
  • Network Security and Intrusion Detection
  • Energy Efficient Wireless Sensor Networks
  • Software-Defined Networks and 5G
  • MXene and MAX Phase Materials
  • Thermal Expansion and Ionic Conductivity
  • Peer-to-Peer Network Technologies
  • Smart Grid Security and Resilience
  • Parallel Computing and Optimization Techniques
  • Advanced Data Storage Technologies
  • Machine Learning in Materials Science
  • Cloud Computing and Resource Management
  • Advanced Algorithms and Applications
  • Surface and Thin Film Phenomena
  • Electronic and Structural Properties of Oxides
  • Inorganic Chemistry and Materials

Jilin University
2008-2025

University of California, Riverside
2023-2025

Jilin Medical University
2016-2025

China Tobacco
2022-2024

Changchun Institute of Technology
2009-2024

Lawrence Berkeley National Laboratory
2022-2024

State Key Laboratory of Superhard Materials
2009-2022

Shandong University of Science and Technology
2009-2022

Beijing Institute of Petrochemical Technology
2018-2022

State Key Laboratory of Cryptology
2021-2022

Aiming at the intrusion detection problem of wireless sensor network (WSN), considering combined characteristics network, we consider setting up a corresponding system on edge side through computing. An (IDS), as proactive security protection technology, provides an effective defense for WSN. In this paper, propose WSN intelligent model, introduction k-Nearest Neighbor algorithm (kNN) in machine learning and arithmetic optimization (AOA) evolutionary calculation, to form intelligence...

10.3390/s22041407 article EN cc-by Sensors 2022-02-11

We explore the stability, electronic properties, and quantum capacitance of doped/co-doped graphene with B, N, P, S atoms based on first-principles methods. are strongly bonded graphene, all relaxed systems exhibit metallic behavior. While high surface area can enhance double-layer capacitance, its low limits application in supercapacitors. This is a direct result limited density states near Dirac point pristine graphene. find that triple N doping single vacancy exhibits relatively stable...

10.1021/acsomega.9b01359 article EN publisher-specific-oa ACS Omega 2019-08-02

In the course of our investigations adsorption ions to air-water interface, we previously reported surprising result that doubly charged carbonate anions exhibit a stronger surface affinity than singly bicarbonate anions. contrast monovalent, weakly hydrated anions, which generally show enhanced concentrations in interfacial region, multivalent (and strongly hydrated) are expected much weaker propensity. present work, use resonantly deep-UV second-harmonic generation spectroscopy measure...

10.1021/jacs.3c05093 article EN Journal of the American Chemical Society 2023-09-29

Abstract Orbital‐free density functional theory (OFDFT) stands out as a many‐body electronic structure approach with low computational cost that scales linearly system size, making it well suitable for large‐scale simulations. The past decades have witnessed impressive progress in OFDFT, which opens new avenue to capture the complexity of realistic systems (e.g., solids, liquids, and warm dense matters) provide complete description some complicated physical phenomena under conditions...

10.1002/wcms.1724 article EN cc-by-nc Wiley Interdisciplinary Reviews Computational Molecular Science 2024-05-01

We demonstrate the reversible lithiation of SiO2 up to 2/3 Li per Si, and propose a mechanism for it based on molecular dynamics density functional theory simulations. Our calculations show that neither interstitial (no reduction), nor formation Li2O clusters Si–Si bonds (full reduction) are energetically favorable. Rather, two effectively break Si–O bond become stabilized by oxygen, thus partially reducing anode: this leads increased anode capacity when reduction occurs at Si/SiO2...

10.1063/1.4729743 article EN Applied Physics Letters 2012-06-11

We present the first investigation of unusual nonlinear Hall effects in twisted multilayer 2D materials. Contrary to expectations, our study shows that these are not merely extensions their monolayer counterparts. Instead, we find stacking order and pairwise interactions between neighboring layers, mediated by Berry curvatures, play a pivotal role shaping collective optical response. By combining large-scale Real-Time Time-Dependent Density Functional Theory (RT-TDDFT) simulations with model...

10.26434/chemrxiv-2024-lqvsb-v2 preprint EN cc-by-nc-nd 2025-01-02

The discovery of compressed atomic-type hydrides offers a promising avenue toward achieving room-temperature superconductivity, but it necessitates extremely high pressures to completely dissociate hydrogen molecules release free electrons. Here, we report remarkable finding H 2 -molecular–type hydride CaH 14 exhibiting an unusual transition temperature ( T c ) 204.0 kelvin. peculiarity its electronic structure lies in the pronounced emergence near-free electrons, which manifest metallic...

10.1126/sciadv.adt9411 article EN cc-by-nc Science Advances 2025-03-28

Topochemical polymerization (TCP) emerges as a leading approach for synthesizing single crystalline polymers, but is traditionally restricted to transformations in solid-medium. The complexity achieving single-crystal-to-single-crystal (SCSC) due lattice disparities and the untapped potential of performing TCP liquid medium with solid-state structural fidelity present unsolved challenges. Herein, by using X-rays primary means overcome crystal disintegration, we reveal details SCSC...

10.1038/s41467-025-58822-2 article EN cc-by Nature Communications 2025-04-12

Using physical insights and advanced first-principles calculations, we suggest that corundum ($\ensuremath{\alpha}$-Al${}_{2}$O${}_{3}$) is an ideal gate dielectric material for graphene transistors. Clean interface exists between Al-terminated (or hydroxylated) Al${}_{2}$O${}_{3}$ the valence-band offsets these systems are large enough to create injection barrier. Remarkably, a band gap of $\ensuremath{\sim}$180 meV can be induced in layer adsorbed on surface with electron effective mass...

10.1103/physrevb.84.155406 article EN publisher-specific-oa Physical Review B 2011-10-07

The inhomogeneous phase, which usually exists in graphene oxides (GOs), is a long-standing problem that has severely restricted the use of GOs various applications. By using first-principles based cluster expansion, we find existence phase separation conventional due to extremely strong attractive interactions oxygen atoms at different sides. Our Monte Carlo simulations show this kind not avoidable under current experimental growth temperature. In Letter, idea oxidizing on single side...

10.1103/physrevlett.110.085501 article EN publisher-specific-oa Physical Review Letters 2013-02-19

The goal of this research is to structure a hyaluronic acid modified nanostructured lipid carrier (HA-NLCs) for vincristine sulfate (VCR) delivery, and detect its efficiency improve the oral bioavailability. Emulsion solvent evaporation method was used prepare HA-NLCs nanoparticles. particle size, zeta potential entrapment VCR-NLCs were 187 ± 3.52 nm, -8.61 1.29 mV, 33.12 1.16% 192 4.41 -32.82 2.64 34.41 2.21%, respectively. could significantly cellular uptake cytotoxicity in MCF-7 cells...

10.1080/03639045.2016.1275671 article EN Drug Development and Industrial Pharmacy 2017-01-03

Abstract Orbital-free density functional theory (OF-DFT) is an electronic structure method with a low computational cost that scales linearly the number of simulated atoms, making it suitable for large-scale material simulations. It generally considered OF-DFT strictly requires use local pseudopotentials, rather than orbital-dependent nonlocal calculation electron-ion interaction energies, as no orbitals are available. This unfortunate situation since pseudopotentials known to give much...

10.1038/s41467-022-29002-3 article EN cc-by Nature Communications 2022-03-16

Abstract We present the first investigation of unusual nonlinear Hall effects in twisted multilayer 2D materials. Contrary to expectations, our study shows that these are not merely extensions their monolayer counterparts. Instead, we find stacking order and pairwise interactions between neighboring layers, mediated by Berry curvatures, play a pivotal role shaping collective optical response. By combining large-scale Real-Time Time-Dependent Density Functional Theory (RT-TDDFT) simulations...

10.1038/s41699-024-00520-6 article EN cc-by npj 2D Materials and Applications 2025-01-07

Hybrid networks contain both legacy and programmable network switches allow operators to reap the benefits of Software-defined networking (SDN) without upgrading entire network. Previous research shows that adding SDN capabilities at strategic places in a ensuring each flow traverses least one such switch is sufficient achieve many control paradigms, as routing or access control. However, points are still limited SDN-enabled devices cannot enforce fine-grained policies on paths between switches.

10.1145/2774993.2775013 article EN 2015-06-12

Germanene, with a wrinkled atomic layer structure and high specific surface area, showed potential as an electrode material for supercapacitors. According to the first-principles calculation based on Density Functional Theory, quantum capacitance of germanene could be significantly improved by introducing doping/co-doping, vacancy defects multilayered structures. The obtained enhancement result generation localized states near Dirac point and/or movement Fermi level induced doping defects....

10.3390/ma15010103 article EN Materials 2021-12-23
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