3 research outputs found
Tables, Figures and structure data from Complex interplay of interatomic bonding in a multi-component pyrophosphate crystal: K<sub>2</sub>Mg (H<sub>2</sub>P<sub>2</sub>O<sub>7</sub>)<sub>2</sub>·2H<sub>2</sub>O
Structure comparison; bond order data; phonon figures, relaxed structure
First-principles calculation of lattice distortion, electronic structure and bonding properties of GeTe-based and PbSe-based high-entropy chalcogenides
This file consists of additional figures and tables supporting the manuscript
Designing the Interface of Carbon Nanotube/Biomaterials for High-Performance Ultra-Broadband Photodetection
Inorganic/biomolecule
nanohybrids can combine superior electronic and optical properties
of inorganic nanostructures and biomolecules for optoelectronics with
performance far surpassing that achievable in conventional materials.
The key toward a high-performance inorganic/biomolecule nanohybrid
is to design their interface based on the electronic structures of
the constituents. A major challenge is the lack of knowledge of most
biomolecules due to their complex structures and composition. Here,
we first calculated the electronic structure and optical properties
of one of the cytochrome c (Cyt c) macromolecules (PDB ID: 1HRC) using ab initio
OLCAO method, which was followed by experimental confirmation using
ultraviolet photoemission spectroscopy. For the first time, the highest
occupied molecular orbital and lowest unoccupied molecular orbital
energy levels of Cyt c, a well-known electron transport chain in biological
systems, were obtained. On the basis of the result, pairing the Cyt
c with semiconductor single-wall carbon nanotubes (s-SWCNT) was predicted
to have a favorable band alignment and built-in electrical field for
exciton dissociation and charge transfer across the s-SWCNT/Cyt c
heterojunction interface. Excitingly, photodetectors based on the
s-SWCNT/Cyt c heterojunction nanohybrids demonstrated extraordinary
ultra-broadband (visible light to infrared) responsivity (46–188
A W<sup>–1</sup>) and figure-of-merit detectivity <i>D</i>* (1–6 × 10<sup>10</sup> cm Hz<sup>1/2</sup> W<sup>–1</sup>). Moreover, these devices can be fabricated on transparent flexible
substrates by a low-lost nonvacuum method and are stable in air. These
results suggest that the s-SWCNT/biomolecule nanohybrids may be promising
for the development of CNT-based ultra-broadband photodetectors