Electronic and optical properties of C60/Ti2CT2 and C60/Ti3C2T2 (T <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si128.svg" display="inline" id="d1e674"><mml:mo>=</mml:mo></mml:math> F, OH, or O) Heterostructures

Hajiahmadi, Zahra; Khazaei, Mohammad; Ranjbar, Ahmad; Mostafaei, Alireza; Chertopalov, Sergii; Kühne, Thomas D.; Cuniberti, Gianaurelio; Hosano, Hamid; Raebiger, Hannes; Ohno, Kaoru

doi:10.1016/j.commatsci.2023.112364

Cited by 2 publications

(1 citation statement)

References 59 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…[15][16][17][18] Especially, they feature various surface terminations (such as -O, -NH, -N, -S, -F, -Cl, -Br, and -I), which can exert diverse effects on the electronic structure, work function, kinetic stability, atomic spacing, and surface charge of MXenes. [19][20][21][22][23] Taking Ti 3 C 2 T x as an example, the -O and -F functional groups usually enhance its electron affinity and electronegativity, leading to higher work function values of the MXenes, [24][25][26][27] while the -N groups have the capability to create a band gap in Ti 3 C 2 T x , making it more suitable for semiconductor-based applications. 28 The -NH groups can be bonded with hydrogen, tending to decrease the total surface charge and reduce the overall work function of Ti 3 C 2 T x .…”

Section: Introductionmentioning

confidence: 99%

A review on surface modulation of MXenes and the impact on their work functions and stability

Pang,

Li,

et al. 2024

New J. Chem.

View full text Add to dashboard Cite

show abstract

Section: Introductionmentioning

confidence: 99%

A review on surface modulation of MXenes and the impact on their work functions and stability

Pang,

Li,

et al. 2024

New J. Chem.

View full text Add to dashboard Cite

show abstract

Contact engineering for two-dimensional metal/qHP C60 van der Waals heterostructure

Liu,

Qian,

Dai

et al. 2024

Applied Physics Letters

View full text Add to dashboard Cite

The fabrication of two-dimensional (2D) quasi-hexagonal phase (qHP) C60 semiconductor material offers a promising candidate for high-performance electronic devices. Selecting appropriate metals is crucial for achieving Ohmic contact (OhC) to enhance carrier injection efficiency. In this Letter, we used first-principles calculations to study the contact properties of seven 2D metal/qHP C60 van der Waals heterostructures. Metals with suitable work functions can form p-type Schottky contacts (p-ShCs), n-type Schottky contacts (n-ShCs), and OhCs. Differences in work function affect interface charge transfer, creating interface dipoles and causing band alignment deviations from the ideal Schottky–Mott limit. The calculated Fermi level pinning factors for n-type and p-type 2D metal/qHP C60 vdWh are 0.528 and 0.521, respectively. By regulating Φn and Φp based on electrostatic potential difference ΔV, we have achieved the ideal Schottky–Mott limit. We also studied the Schottky barrier height of the germanene/qHP C60 vdWh, finding that using electric field is an effective way to convert n-ShC to OhC or p-ShC. These findings provide theoretical guidance for constructing efficient 2D qHP C60 electronic devices.

show abstract

Electronic and optical properties of C60/Ti2CT2 and C60/Ti3C2T2 (T = F, OH, or O) Heterostructures

Cited by 2 publications

References 59 publications

A review on surface modulation of MXenes and the impact on their work functions and stability

A review on surface modulation of MXenes and the impact on their work functions and stability

Contact engineering for two-dimensional metal/qHP C60 van der Waals heterostructure

Contact Info

Product

Resources

About