Concept

Gap direct et gap indirect

Publications associées (502)

Unraveling the Effect of the Chemical and Structural Composition of ZnxNi1-xFe2O4 on the Electron Transfer at the Electrochemical Interface

In order to deepen the understanding of the role of transition metal oxides in electron transfer at the electrochemical interface, the performance of ZnxNi1-xFe2O4 (x = 0, 0.2, 0.4, 0.6, 0.8, 1) nanomaterials in electrochemical sensing is studied. Nanomate ...

WILEY2023

In situ construction of graphdiyne based heterojunctions by a deprotection-free approach for photocatalytic hydrogen generation

Cong Wang, Jian Li

Graphdiyne (GDY) with a direct bandgap, high charge carrier mobility, and ordered pore structure, is considered an excellent matrix for the construction of heterojunction photocatalysts. However, the traditional fabrication methods for GDY-based heterojunc ...

ROYAL SOC CHEMISTRY2023

Range-separated hybrid functionals for accurate prediction of band gaps of extended systems

Alfredo Pasquarello, Stefano Falletta, Jing Yang

In this work, we systematically evaluate the accuracy in band gap prediction of range-separated hybrid functionals on a large set of semiconducting and insulating materials and carry out comparisons with the performance of their global counterparts. We obs ...

NATURE PORTFOLIO2023

Atomic-scale Characterization of Strain and Gate effects on Two-dimensional Materials by Scanning Tunneling Microscopy

Jz -Yuan Juo

Strain is an inevitable phenomenon in two-dimensional (2D) material, regardless of whether the film is suspended or supported. Moreover, strain is known to alter the physical and chemical properties, such as the band gap, charge carrier effective masses, d ...

EPFL2023

Foldable Hole-Transporting Materials for Merging Electronic States between Defective and Perfect Perovskite Sites

Mohammad Khaja Nazeeruddin, Yi Zhang, Paul Joseph Dyson, Hiroyuki Kanda, Jianxing Xia, Kasparas Rakstys, Keith Gregory Brooks, Ruiyuan Hu, Qurat Ul Ain

Defective and perfect sites naturally exist within electronic semiconductors, and considerable efforts to reduce defects to improve the performance of electronic devices, especially in hybrid organic-inorganic perovskites (ABX(3)), are undertaken. Herein, ...

WILEY-V C H VERLAG GMBH2023

Automated mixing of maximally localized Wannier functions into target manifolds

Nicola Marzari, Giovanni Pizzi, Junfeng Qiao

Maximally localized Wannier functions (MLWFs) are widely used in electronic-structure calculations. We have recently developed automated approaches to generate MLWFs that represent natural tight-binding sets of atomic-like orbitals; these describe accurate ...

Berlin2023

Electrical detection of the flat-band dispersion in van der Waals field-effect structures

Andras Kis, Oleg Yazyev, Kristians Cernevics, Fedele Tagarelli, Edoardo Lopriore, Zhe Sun, Gabriele Pasquale

Two-dimensional flat-band systems have recently attracted considerable interest due to the rich physics unveiled by emergent phenomena and correlated electronic states at van Hove singularities. However, the difficulties in electrically detecting the flat- ...

2023

Chemical Trend of Nonradiative Recombination in Cu(In,Ga)Se2 Alloys

Stefano Falletta

Nonradiative recombination in Cu(In,Ga)Se2 (CIGS) solar cells has long been attributed to the antisite defects MCu (M = In, Ga), but the underlying mechanism is still elusive. Using rigorous first-principles calculations, we demonstrate that the antisites ...

AMER PHYSICAL SOC2023

Silica aerogel as rear reflector in silicon heterojunction solar cells for improved infrared response

Deniz Türkay

Silicon (Si), with its indirect bandgap, is a non-ideal absorber. Thus, various strategies to boost silicon solar cells' efficiency, including advanced texturing, multilayer anti-reflecting coating, and rear reflectors are utilized. Dielectrics, deposited ...

ELSEVIER2023

Charge Extraction and Recombination Dynamics of CdSe/CdTe Solar Cells Studied with Transient Photovoltage/Photocurrent Techniques

Mohammad Khaja Nazeeruddin, Iwan Zimmermann, Lei Chen

Significant advancements have been made in the development of high-performance cadmium telluride (CdTe)-based thin film solar cells. However, studies examining the transient excited-state charge dynamics, which determine the final steady-state device perfo ...

New York2023

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