Related papers: Charge doping induced phase transitions in hydroge…
We distinguish three mechanisms of doping graphene. Density functional theory is used to show that electronegative molecule like F4-TCNQ and electropositive metals like K dope graphene p- and n-type respectively. These dopants are expected…
We study the transition from ballistic to diffusive and localized transport in graphene nanoribbons in the presence of binary disorder, which can be generated by chemical adsorbates or substitutional doping. We show that the interplay…
We study the interplay between superconductivity and spin density wave order in graphene doped to 3/8 or 5/8 filling (a Van Hove doping). At this doping level, the system is known to exhibit weak coupling instabilities to both chiral d + id…
In recent years, various doping methods for epitaxial graphene have been demonstrated through atom substitution and adsorption. Here we observe by angle-resolved photoemission spectroscopy (ARPES) a coupling-induced Dirac cone…
We present a joint theoretical and experimental investigation of charge doping and electronic potential landscapes in hybrid structures composed of graphene and semiconducting single layer MoS2. From first-principles simulations we find…
Experimental setups for charge transport measurements are typically not compatible with the ultra-high vacuum conditions for chemical doping, limiting the charge carrier density that can be investigated by transport methods. Field-effect…
For centrosymmetric materials such as monolayer graphene, no optical second harmonic generation (SHG) is generally expected because it is forbidden under the electric-dipole approximation. Yet we observed a strong, doping induced SHG from…
We have demonstrated that the island nucleation in the initial stage of epitaxial thin film growth can be tuned by substrate surface charge doping. This charge effect was investigated using spin density functional theory calculation in…
By employing x-ray photoelectron spectroscopy (XPS), we have been able to establish the occurrence of charge-transfer doping in few-layer graphene covered with electron acceptor (TCNE) and donor (TTF) molecules. We have performed…
Fluorite oxides such as HfO$_2$ exhibit rich and tunable phase behavior, making them promising candidates for next generation electronic devices. A key challenge is to design amorphous HfO$_2$-based high-$k$ materials with both structural…
The phase diagram of a biased graphene bilayer is computed and the existence of a ferromagnetic phase is discussed both in the critical on-site interaction $U_{c}$ versus doping density and versus temperature. We show that in the…
Controlling the type and density of charge carriers by doping is the key step for developing graphene electronics. However, direct doping of graphene is rather a challenge. Based on first-principles calculations, a concept of overcoming…
Kagome superconductors AV$_3$Sb$_5$ (A = K, Rb and Cs) have attracted much recent attention due to the coexistence of multiple exotic orders. Among them, the charge density wave (CDW) order has been shown to host various unconventional…
In this work, we present a systematic DFT investigation of the interaction between B-doped graphene and four selected metals: Mg and Zn, relevant for next-generation metal-ion batteries, and Cu and Pt, important for single-atom catalysis.…
The effect of dimensionality on materials properties has become strikingly evident with the recent discovery of graphene. Charge ordering phenomena can be induced in one dimension by periodic distortions of a material's crystal structure,…
Among the different strategies used to induce the opening of a band gap in graphene, one common practice is through chemical doping. While a gap may me opened in this way, disorder-induced scattering is an unwanted side-effect that impacts…
We study the electronic structure of diluted F atoms chemisorbed on graphene using density functional theory calculations. We show that the nature of the chemical bonding of a F atom adsorbed on top of a C atom in graphene strongly depends…
Two-dimensional (2d) nano-electronics, plasmonics, and emergent phases require clean and local charge control, calling for layered, crystalline acceptors or donors. Our Raman, photovoltage, and electrical conductance measurements combined…
Heavily doping graphene by intercalation can raise its Fermi level near an extended van Hove singularity, potentially inducing correlated electronic phases. Intercalation also modifies the band structure: dopants may hybridize with carbon…
In this work, we present an investigation regarding how and why molecular hydrogen changes the electronic properties of graphene field effect transistors. We demonstrate that interaction with H2 leads to local doping of graphene near of the…