Unraveling the Complex Hydrogen Bonding of a Dual-Functionality Proton Conductor Using Ultrafast Magic Angle Spinning NMR
Bibliographic record
Abstract
Hydrogen bonding plays a critical role in proton-conducting polymers, as it provides the network necessary for structural (Grotthus mechanism) diffusion. This network must be both pervasive and dynamic in order for long-range proton transport to be achieved. The structural motifs must be understood, even in amorphous materials, and moreover, the lattice energies in the structure must be low enough to allow rearrangement and mobility. To this end, a novel proton-conducting candidate, 1,10-(1- H -imidazol-5-yl)decanephosphonic acid and its HBr doped counterpart are considered from the molecular level as potential proton-conducting membranes. The use of high-resolution solid-state 1 H NMR to elucidate structure and dynamics of such systems is highlighted in this material. We compare our molecular-level results to macroscopic probes of proton transport in related polymers, achieved using impedance spectroscopy.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.001 | 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 source (direct Gemma or distilled Codex), 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".