3 research outputs found
Hexagonal BC<sub>3</sub>: A Robust Electrode Material for Li, Na, and K Ion Batteries
We have investigated the stability,
maximum intercalation capacity,
and voltage profile of alkali metal intercalated hexagonal BC<sub>3</sub> (M<sub><i>x</i></sub>BC<sub>3</sub>), for 0 < <i>x</i> ≤ 2 and M = Li, Na, and K. Our calculations, based
on dispersion-corrected density functional theory, show that these
intercalation compounds are stable with respect to BC<sub>3</sub> and
their bulk metal counterparts. Moreover, we found that among all M<sub><i>x</i></sub>BC<sub>3</sub> considered, the maximum stable
capacity corresponds to an <i>x</i> value of 1.5, 1, and
1.5 for Li, Na, and K, respectively. These values are associated with
large gravimetric capacities of 572 mA h/g for Na and 858 mA h/g for
Li and K. Importantly, we show that metal intercalated hexagonal BC<sub>3</sub> has the advantage of a small open-circuit voltage variation
of approximately 0.49, 0.12, and 0.16 V for Li, Na, and K, respectively.
Our results suggest that BC<sub>3</sub> can become a robust alternative
to graphitic electrodes in metal ion batteries, thus encouraging further
experimental work
Potassium Ion Batteries with Graphitic Materials
Graphite intercalation compounds
(GICs) have attracted tremendous attention due to their exceptional
properties that can be finely tuned by controlling the intercalation
species and concentrations. Here, we report for the first time that
potassium (K) ions can electrochemically intercalate into graphitic
materials, such as graphite and reduced graphene oxide (RGO) at ambient
temperature and pressure. Our experiments reveal that graphite can
deliver a reversible capacity of 207 mAh/g. Combining experiments
with <i>ab initio</i> calculations, we propose a three-step
staging process during the intercalation of K ions into graphite:
C → KC<sub>24</sub> (Stage III) → KC<sub>16</sub> (Stage
II) → KC<sub>8</sub> (Stage I). Moreover, we find that K ions
can also intercalate into RGO film with even higher reversible capacity
(222 mAh/g). We also show that K ions intercalation can effectively
increase the optical transparence of the RGO film from 29.0% to 84.3%.
First-principles calculations suggest that this trend is attributed
to a decreased absorbance produced by K ions intercalation. Our results
open opportunities for novel nonaqueous K-ion based electrochemical
battery technologies and optical applications
Tunable Broadband Nanocarbon Transparent Conductor by Electrochemical Intercalation
Optical
transparent and electrical conducting materials with broadband
transmission are important for many applications in optoelectronic,
telecommunications, and military devices. However, studies of broadband
transparent conductors and their controlled modulation are scarce.
In this study, we report that reversible transmittance modulation
has been achieved with sandwiched nanocarbon thin films (containing
carbon nanotubes (CNTs) and reduced graphene oxide (rGO)) <i>via</i> electrochemical alkali-ion intercalation/deintercalation.
The transmittance modulation covers a broad range from the visible
(450 nm) to the infrared (5 μm), which can be achieved only
by rGO rather than pristine graphene films. The large broadband transmittance
modulation is understood with DFT calculations, which suggest a decrease
in interband transitions in the visible range as well as a reduced
reflection in the IR range upon intercalation. We find that a larger
interlayer distance in few-layer rGO results in a significant increase
in transparency in the infrared region of the spectrum, in agreement
with experimental results. Furthermore, a reduced plasma frequency
in rGO compared to few-layer graphene is also important to understand
the experimental results for broadband transparency in rGO. The broadband
transmittance modulation of the CNT/rGO/CNT systems can potentially
lead to electrochromic and thermal camouflage applications