Effect of doping on electronic structure and photocatalytic behavior of amorphous TiO<sub>2</sub>
Why this work is in the frame
A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.
Bibliographic record
Abstract
Visible light photocatalysts based on doped crystalline forms of titanium dioxide (TiO2) have attracted significant scientific attention in recent decades. Amorphous TiO2, despite many merits over crystalline phases, has not been studied as thoroughly. In this paper, an in-depth analysis of the electronic properties of doped amorphous TiO2 is performed using density functional theory with Hubbard's energy correction (DFT + U). Monodoping with p-type (N) and n-type (Nb) dopants shows appreciable bandgap reduction, but leads to recombination centers due to the presence of uncompensated charges. To resolve this issue, charge compensation via codoping is attempted. The charge compensated codoping not only reduces the bandgap by 0.4 eV but also eliminates the bandgap states present in monodoped systems responsible for charge carrier recombination. Furthermore, the localized tail states present in the aTiO2 system are eliminated to a large extent which leads to a decrease in the charge recombination and an increase in the charge migration. Thus, appropriate doping of amorphous TiO2 may lead to an alternative route for the development of visible light photocatalysts.
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.
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 | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 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) | 0.000 | 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 it