Metallization and superconductivity in methane doped by beryllium at low pressure.

As one of the simplest hydrocarbons, methane (CH4) has great potential in the research of superconductors. However, the metallization of CH4 has been an issue for a long time. Here, we report the structure, metallization, and superconductivity of CH4 doped by Be at low pressures, based on first-principles calculations. The result shows that the thermodynamically stable BeCH4 with P1[combining macron] space-group can transform into a metal at ambient pressure. This ternary hydride BeCH4 exhibits a superconductivity of ∼6 K below 25.6 GPa. Interestingly, the superconducting critical temperature of BeCH4 can reach ∼30 K at 80 GPa in the form of an a-P1 space-group phase. The charge transfer from Be to CH4 molecules plays an important role in the superconductivity. Our results present a novel way to realize the metallization of methane at relative pressures and indicate that the doped methane is a potential candidate for seeking high temperature and low pressure superconductivity.

Isomerization of Benzothiadiazole Yields a Promising Polymer Donor and Organic Solar Cells with Efficiency of 19.0.

The exploration of high-performance and low-cost wide-bandgap polymer donors remains critical to achieve high-efficiency nonfullerene organic solar cells (OSCs) beyond current thresholds. Herein, the 1,2,3-benzothiadiazole (iBT), which is an isomer of 2,1,3-benzothiadiazole (BT), is used to design wide-bandgap polymer donor PiBT. The PiBT-based solar cells reach efficiency of 19.0%, which is one of the highest efficiencies in binary OSCs. Systemic studies show that isomerization of BT to iBT can finely regulate the polymers' photoelectric properties including i) increasing the extinction coefficient and photon harvest, ii) downshifting the highest occupied molecular orbital energy levels, iii) improving the coplanarity of polymer backbones, iv) offering good thermodynamic miscibility with acceptors. Consequently, the PiBT:Y6 bulk heterojunction (BHJ) device simultaneously reaches advantageous nanoscale morphology, efficient exciton generation and dissociation, fast charge transportation, and suppressed charge recombination, leading to larger VOC of 0.87 V, higher JSC of 28.2 mA cm-2, greater fill factor of 77.3%, and thus higher efficiency of 19.0%, while the analog-PBT-based OSCs reach efficiency of only 12.9%. Moreover, the key intermediate iBT can be easily afforded from industry chemicals via two-step procedure. Overall, this contribution highlights that iBT is a promising motif for designing high-performance polymer donors.

Superconductivity Above 100 K Predicted in Carbon-Cage Network.

To explore carbide superconductors with higher transition temperature, two novel carbon structures of cage-network are designed and their superconductivity is studied by doping metals. MC6 and MC10 are respectively identified as C24 and C32 cage-network structures. This study finds that both carbon structures drive strong electron-phonon interaction and can exhibit superconductivity above liquid nitrogen temperature. Importantly, the superconducting transition temperatures above 100 K are predicted to be achieved in C24 -cage-network systems doped by Na, Mg, Al, In, and Tl at ambient pressure, which is far higher than those in graphite, fullerene, and other carbides. Meanwhile, the superconductivity of cage-network carbides is also found to be sensitive to the electronegativity and concentration of dopant M. The result indicates that the higher transition temperatures can be obtained by optimizing the carbon-cage-network structures and the doping conditions. The study suggests that the carbon-cage-network structure is a direction to explore high-temperature superconducting carbides.

Step-by-Step Modulation of Crystalline Features and Exciton Kinetics for 19.2% Efficiency Ortho-Xylene Processed Organic Solar Cells.

With plenty of popular and effective ternary organic solar cells (OSCs) construction strategies proposed and applied, its power conversion efficiencies (PCEs) have come to a new level of over 19% in single-junction devices. However, previous studies are heavily based in chloroform (CF) leaving behind substantial knowledge deficiencies in understanding the influence of solvent choice when introducing a third component. Herein, we present a case where a newly designed asymmetric small molecular acceptor using fluoro-methoxylated end-group modification strategy, named BTP-BO-3FO with enlarged bandgap, brings different morphological evolution and performance improvement effect on host system PM6:BTP-eC9, processed by CF and ortho-xylene (o-XY). With detailed analyses supported by a series of experiments, the best PCE of 19.24% for green solvent-processed OSCs is found to be a fruit of finely tuned crystalline ordering and general aggregation motif, which furthermore nourishes a favorable charge generation and recombination behavior. Likewise, over 19% PCE can be achieved by replacing spin-coating with blade coating for active layer deposition. This work focuses on understanding the commonly met yet frequently ignored issues when building ternary blends to demonstrate cutting-edge device performance, hence, will be instructive to other ternary OSC works in the future.