Baotao Kang

Carbon allotropes have contributed to all aspects of people's lives throughout human history. As emerging carbon-based low-dimensional materials, graphyne family members (GYF), represented by graphdiyne, have a wide range potential applications due to their superior physical and chemical properties. In particular, graphdiyne (GDY), as the leader of the graphyne family, has been practically applied to various research fields since it was first successfully synthesized. GYF have a large surface ar

Graphyne is a rising two-dimensional (2D) carbon allotrope with excellent electronic properties. In this paper, theoretical calculations were performed to study the corresponding electronic properties of the oxygenated graphyne. Atomic oxygen when bound to the carbon atom of graphyne forms a stable oxide, with a much larger binding energy compared to that on graphene. Owing to the oxygen adsorption, the α- and β-graphyne change from a zero-band-gap material to a semiconductor as indicated in the

The sluggish kinetics of oxygen reduction reaction (ORR) on cathode is an invariable bottleneck in the fuel cell industry. Recently, a rising 2D carbon allotrope, graphyne with fascinating properties, appears to be a potential candidate to promote fuel cell performance. We investigated ORR process on three different graphyne models by density functional theory calculations. Because of the acetylenic linkage (−C≡C−) insertion, some carbon atoms in graphyne are positively charged to facilitate O2

Great efforts have been made to understand and upgrade the kinetically sluggish oxygen evolution reaction (OER). In this study, a series of V-doped LaCoO₃ (V-LCO) OER electrocatalysts with optimized d-band centers are fabricated. When utilized as an electrode for the OER, as-formed LaCo_0.8 V_0.2 O₃ (V-LCO-II) requires an overpotential of only 306 mV to drive a geometrical catalytic current density of 10 mA cm^-2 . Furthermore, at a given overp

Aqueous zinc‐ion batteries (ZIBs) have shown great potential in the fields of wearable devices, consumer electronics, and electric vehicles due to their high level of safety, low cost, and multiple electron transfer. The layered cathode materials of ZIBs hold a stable structure during charge and discharge reactions owing to the ultrafast and straightforward (de)intercalation‐type storage mechanism of Zn 2+ ions in their tunable interlayer spacing and their abilities to accommodate other guest io

An improved adaptive beamforming procedure is presented for self-calibrating a distorted phased array. The multiple scatterer algorithm (MSA) combines the echoes from several range bins to synthesize a beamformer that is less perturbed by clutter than the basic dominant scatterer algorithm (DSA). It was tested using experimental microwave echoes from industrial sites near Phoenixville, PA. It was found that the MSA can synthesize a nearly ideal beamformer using the echoes from three range bins h

In the present paper, density functional theory calculations have been implemented by using Dmol³ to study the electronic band structures of β-graphyne nanotubes (βGyNTs) and γ-graphyne nanotubes (γGyNTs).

Nitrogen doped graphdiyne (NGDY) has been reported to have comparable oxygen reduction reaction (ORR) performance to Pt-based catalysts. However, the source of this enhanced ORR performance is not clearly understood. Herein, density functional theory calculations were performed to study the detailed ORR process on NGDY. The theoretically predicted overpotential (η) of GDY materials was 0.442 V, which is comparable to that of Pt-based catalysts, suggesting that GDY is a candidate for non-expensiv