Searching for a shell

About

Hi there! Nice to meet you! 👋

I am an electron wandering in a computer generated field.

Okay, seriously, my name’s Chengcheng Xiao, I enjoy coding and running smulations on materials, and this is the place where I share stuff that I find ineteresting ;)

You can find my :page_with_curl:CV here.

Hope you have a good stay in my little den!

Research Interests

My research area include (subject to expand at any moment):

  • ⚡️ Electronic properties of materials.
  • 💻 Density functional theory methods.
  • 🚂 Building models (both abstract and real).

Contact Me

Publications

  • [2026] Hot-carrier generation in bimetallic Janus nanoparticles, [ACS Nano] DOI: 10.1021/acsnano.5c17401

  • [2023] Origin of versatile polarization state in CuInP2S6, [Physical Review B] DOI: 10.1103/PhysRevB.108.L161406

  • [2023] Role of electron localisation in H adsorption and hydride formation in the Mg basal plane under aqueous corrosion: a first-principles study [Physical Chemistry Chemical Physics] DOI: 10.1039/d2cp05242c

  • [2022] Rationalizing the Effect of Shape and Size in Nanoparticle-Based Glues [The Journal of Physical Chemistry C] DOI: 10.1021/acs.jpcc.2c00461

  • [2022] Unraveling the Role of Architecture in Polymer-Based Glues for Hydrogels [ACS Applied Materials & Interfaces] DOI: 10.1021/acsami.1c10785

  • [2021] Enhancing Oxygen Evolution Reaction Activity by Using Switchable Polarization in Ferroelectric InSnO2N [ACS Catalysis] DOI: 10.1021/acscatal.1c03737

  • [2021] Coexistence of Ferroelectricity and Ferromagnetism in One-Dimensional SbN and BiN Nanowires [ACS Applied Materials & Interfaces] DOI: 10.1021/acsami.0c20570

  • [2019] Spontaneous symmetry lowering of Si (001) towards two-dimensional ferro/antiferroelectric behavior [Physical Review Materials] DOI: 10.1103/PhysRevMaterials.3.044410

  • [2019] Superconducting phase diagram and nontrivial band topology of structurally modulated Sn1-xSbx [Physical Review Materials] DOI: 10.1103/PhysRevMaterials.3.084603

  • [2019] Electronic structures of ultra-thin tellurium nanoribbons [Nanoscale] DOI: 10.1039/c9nr04112e

  • [2019] Room-temperature ferroelectricity in MoTe2 down to the atomic monolayer limit [Nature Communications] DOI: 10.1038/s41467-019-09669-x

  • [2019] Enhanced Photoelectrical Response of Thermodynamically Epitaxial Organic Crystals at the Two-Dimensional Limit [Nature Communications] DOI: 10.1038/s41467-019-08573-8

  • [2018] Realization of a New Topological Crystalline Insulator and Lifshitz Transition in PbTe [Advanced Functional Materials] DOI: 10.1002/adfm.201803188

  • [2018] Two-dimensional Ferroelectricity and Switchable Spin- textures in Ultra-thin Elemental Te Multilayers [Materials Horizons] DOI: 10.1039/C8MH00082D

  • [2018] Ferroelectricity and Antiferroelectricity in Elemental Group- V Monolayer Materials [Advanced Functional Materials] DOI: 10.1002/adfm.201707383

  • [2017] Layer-dependent Semiconductor-metal Transition of SnO/Si(001) Heterostructure and Device Application [Scientific Reports] DOI: 10.1038/s41598-017-02832-8

  • [2017] Investigations on molybdenum dinitride as a promising anode material for Na-ion batteries form first-principle calculations [Journal of Alloys and Compounds] DOI:10.1016/j.jallcom.2017.01.186