Temperature-dependent structural changes and hydration of CsLiB<sub>6</sub>O<sub>10</sub>
Bibliographic record
Abstract
This presentation features a combined photo-crystallography and Density Functional Theory study on two Ru-based complexes that have potential application in optical data storage [1]. Solid-state linkage photo-isomerism is the transformative process, that yields a binary structural signature from 0 (ground-state) to 1 (the photo-isomer) [2]. The compounds are based on the general series of materials, [Ru(SO 2 )(NH 3 ) 4 X]Y, where X is trans to the SO 2 ligand. In this particular study, X = isonicotinamide, Y = tosylate 2 ; X = H 2 O and Y = camphorsulfonate. The SO 2 is the photoactive ligand, converting from S-end bound ( 1 ) to side-bound ( 2 ) coordination with the Ru metal centre [3]. Photo-crystallography experiments reveal the 3-D geometry of these light-activated molecular species [4], with up to 27% photoconversion efficiency. Complementary DFT calculations quantify a relationship between the photoconversion fraction and the size of the reaction cavity, i.e. the void surrounding the SO 2 ligand within the crystal lattice. The associated energetics of the ligand photoisomerism are presented in tandem with these findings. The relevance of these findings to the optical data storage industry are discussed; in particular, their role in helping to solve the current challenges in securing suitable materials for industrial application. This leads to the ultimate goal of being able to tailor an optoelectronic material for a given device application.
Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.
How this classification was reachedexpand
Full frame distilled prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.001 | 0.000 |
| Meta-epidemiology (narrow) | 0.001 | 0.001 |
| Meta-epidemiology (broad) | 0.001 | 0.000 |
| Bibliometrics | 0.001 | 0.001 |
| Science and technology studies | 0.001 | 0.001 |
| Scholarly communication | 0.000 | 0.001 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.001 | 0.001 |
| Insufficient payload (model declined to judge) | 0.000 | 0.000 |
Machine scores (provisional)
The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.
Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one teacher head, not a consensus.
How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".