Structural analysis of sulfuric acid solutions containing Ti and Mn using x-ray diffraction, x-ray absorption fine structure, and molecular dynamics simulation.

Structural analyses have been performed for sulfuric acid (H2SO4) aqueous solutions containing Ti and/or Mn. These solutions are used as the positive electrolyte in the Ti-Mn redox flow (RF) battery, in which it had been found that adding Ti4+ in the positive electrolyte is very effective to reduce the MnO2 precipitation at a high state of charge. X-ray diffraction and x-ray absorption fine structure (XAFS) measurements were employed in order to obtain total correlation functions, T(r)'s, and coordination numbers around Mn and Ti in the solutions, respectively. The T(r)'s showed some peculiar peaks that were assigned to correspond to S-O, O-O, Mn-O, and Ti-O pairs in the solutions. The XAFS analysis demonstrated that both Mn and Ti have 6-coordinating oxygen atoms in the solutions. The classical molecular dynamics simulation was also carried out to obtain structural models of the solutions. By tuning the Born-Mayer type potential parameters, the T(r)'s calculated from the models showed good agreement with the experimental ones. Regarding the coordination number, the 6-coordinated Mn-O was reproduced successfully, while we need further investigation to find parameters that can reproduce the 6-coordinated Ti-O in the solutions. The simulation results also indicated the existence of Ti-SO4 bonds, which should promote the H+ dissociation from HSO4- and increase the H+ concentration in the solutions. This may be effective to suppress the MnO2 precipitation at a high state of charge in the RF battery.

Roles of transition metals interchanging with lithium in electrode materials.

Roles of antisite transition metals interchanging with Li atoms in electrode materials of Li transition-metal complex oxides were clarified using a newly developed direct labeling method, termed powder diffraction anomalous fine structure (P-DAFS) near the Ni K-edge. We site-selectively investigated the valence states and local structures of Ni in Li0.89Ni1.11O2, where Ni atoms occupy mainly the NiO2 host-layer sites and partially the interlayer Li sites in-between the host layers, during electrochemical Li insertion/extraction in a lithium-ion battery (LIB). The site-selective X-ray near edge structure evaluated via the P-DAFS method revealed that the interlayer Ni atoms exhibited much lower electrochemical activity as compared to those at the host-layer site. Furthermore, the present analyses of site-selective extended X-ray absorption fine structure performed using the P-DAFS method indicates local structural changes around the residual Ni atoms at the interlayer space during the initial charge; it tends to gather to form rock-salt NiO-like domains around the interlayer Ni. The presence of the NiO-like domains in the interlayer space locally diminishes the interlayer distance and would yield strain energy because of the lattice mismatch, which retards the subsequent Li insertion both thermodynamically and kinetically. Such restrictions on the Li insertion inevitably make the NiO-like domains electrochemically inactive, resulting in an appreciable irreversible capacity after the initial charge but an achievement of robust linkage of neighboring NiO2 layers that tend to be dissociated without the Li occupation. The P-DAFS characterization of antisite transition metals interchanging with Li atoms complements the understanding of the detailed charge-compensation and degradation mechanisms in the electrode materials.

Time-resolved coherent diffraction of ultrafast structural dynamics in a single nanowire.

The continuing effort to utilize the unique properties present in a number of strongly correlated transition metal oxides for novel device applications has led to intense study of their transitional phase state behavior. Here we report on time-resolved coherent X-ray diffraction measurements on a single vanadium dioxide nanocrystal undergoing a solid-solid phase transition, using the SACLA X-ray Free Electron Laser (XFEL) facility. We observe an ultrafast transition from monoclinic to tetragonal crystal structure in a single vanadium dioxide nanocrystal. Our findings demonstrate that the structural change occurs in a number of distinct stages attributed to differing expansion modes of vanadium atom pairs.

[Fostering Mixed-skill Pharmacists for Careers in Health Support Pharmacies-Education to Overcome the Barrier of Limited Occupational Expertise].

For becoming a talented pharmacist at a health support pharmacy, the practitioner must obtain ability in two significant skill sets: "Technical skill" and "Non-technical skill". Technical skills are that required for a pharmacist's specialty/expertise, such as a wide variety of specialized knowledge and techniques. Non-technical skills are those required for effective communication and cooperation with patients, as well as with professionals from multiple fields, and also leadership/problem-solving ability within a team. Therefore, technical skill and non-technical skill go hand-in-hand like the two wheels on an axle. In a community-based integrated care system, medical professionals are expected to support a patient's overall health more effectively, even extending into his/her private life. In order to enable pharmacists to expand their scope of activity and fully execute their expertise, Yakugaku Seminar Lifelong Learning Center supports pharmacists from the standpoint of education with various themes, for example: the simulated experience of doctor conducting patient education and formulation on a daily basis, learning a basic way of thinking when clinical decisions are made for a patient nearby, mature decision making by combining vital signs, communication that takes into consideration a patient's background, and improved communication or problem-solving abilities within a broader team.