2 research outputs found
New Insights into the Electronic Structure and Photoelectrochemical Properties of Nitrogen-Doped HNb<sub>3</sub>O<sub>8</sub> via a Combined in Situ Experimental and DFT Investigation
The nitrogen-doping approach has been
intensively adopted to improve various properties of metal oxides,
especially for adjusting the energy band structure and extending the
photoresponse range of oxide photocatalysts. However, the nitrogen
doping behavior is still unintelligible and complex due to the diversity of compositions
and crystal structures. In this work, new insights into the electronic
structure and photoelectrochemical (PEC) properties of nitrogen-doped
HNb<sub>3</sub>O<sub>8</sub> were presented. On the one hand, we utilized
an in situ experimental strategy to ascertain the effect of nitrogen
doping on the energy band and photoelectrochemical (PEC) properties
of HNb<sub>3</sub>O<sub>8</sub> and nitrogen-doped HNb<sub>3</sub>O<sub>8</sub> (N-HNb<sub>3</sub>O<sub>8</sub>). Their energy band
level, donor densities, and interfacial charge transfer properties
were studied by MottâSchottky plots and electrochemical impedance
spectroscopy. After nitrogen doping, the conduction band position
is unusually descended by 0.23 eV, the valance band position is raised
by 0.51 eV, the donor density (<i>N</i><sub>d</sub>) is
increased from 3.71 Ă 10<sup>21</sup> to 6.46 Ă 10<sup>21</sup> cm<sup>â3</sup>, and interfacial charge transfer efficiency
is reduced, though. On the other hand, density functional theoretical calculations
were also conducted, so as to understand the electronic structures
of HNb<sub>3</sub>O<sub>8</sub> and N-HNb<sub>3</sub>O<sub>8</sub>. After nitrogen doping, the electronic structure is modified due
to the upshift of the valance band edge consisting of hybrid N 2p
and O 2p orbitals and the downshift of the conduction band edge consisting
of the H 1s and Nb 4d orbitals. Furthermore, these insights into the
behavior of nitrogen-doped semiconductors have important guiding significance
toward their potential applications
Bismuth Ferrite-Based Lead-Free High-Entropy Piezoelectric Ceramics
Piezoelectric ceramics, as essential components of actuators
and
transducers, have captured significant attention in both industrial
and scientific research. The âentropy engineeringâ approach
has been demonstrated to achieve excellent performance in lead-based
materials. In this study, the âentropy engineeringâ
approach was employed to introduce the morphotropic phase boundary
(MPB) into the bismuth ferrite (BF)-based lead-free system. By employing
this strategy, a serial of novel âmedium to high entropyâ
lead-free piezoelectric ceramics were successfully synthesized, namely
(1âx)BiFeO3âx(Ba0.2Sr0.2Ca0.2Bi0.2Na0.2)TiO3 (BFâxBSCBNT, x = 0.15â0.5). Our investigation systematically examined
the phase structure, domain configuration, and ferroelectric/piezoelectric
properties as a function of conformational entropy. Remarkable performances
with a largest strain of 0.50% at 100 kV/cm, remanent polarization
âŒ40.07 ÎŒC/cm2, coercive field âŒ74.72
kV/cm, piezoelectric coefficient âŒ80 pC/N, and d33* âŒ500 pm/V were achieved in BFâ0.4BSCBNT
ceramics. This exceptional performance can be attributed to the presence
of MPB, coexisting rhombohedral and cubic phases, along with localized
nanodomains. The concept of high-entropy lead-free piezoelectric ceramics
in this study provides a promising strategy for the exploration and
development of the next generation of lead-free piezoelectric materials