Galley PDF: Modulation Effect of Substrate Interactions on Nucleation and Growth of MoS2 on Silica
Corpus role
Galley / line-numbered JPCC PDF for the same article as [[2023nadire-nayir-j-phys-chem-modulation-effect]] (DOI 10.1021/acs.jpcc.3c01010). Use the online PDF on the VOR page for stable figures, pagination, and final author proofs.
Summary¶
This ingest registers a pre-publication galley of Nadire Nayir et al., J. Phys. Chem. C, on how silica hydroxylation steers MoO\(_3\) precursor chemistry and MoS\(_2\) nucleation and growth. The scientific content—ReaxFF and DFT simulations paired with CVD experiments—is curated on [[2023nadire-nayir-j-phys-chem-modulation-effect]]. In brief, hydroxylated SiO\(_2\) surfaces favor thermodynamically and kinetically accessible reactions with MoO\(_3\) that seed molybdenum oxide nuclei and subsequent sulfurization toward MoS\(_2\), whereas more dehydroxylated silica remains comparatively inert under the highlighted conditions. The substrate’s chemical state therefore modulates effective growth temperature and nucleation density by opening or closing interfacial reaction channels.
Galley-specific cautions. Galley PDFs frequently retain line numbers, editor queries, or layout differences that do not appear in the issue PDF. Page numbers and Supporting Information cross-references may therefore not match library-hosted copies. For any external write-up—manuscript, thesis, or database record—treat [[2023nadire-nayir-j-phys-chem-modulation-effect]] as the bibliographic anchor and use this slug only for internal provenance tracking of which PDF bytes were ingested.
Methods¶
4 — Non-primary (galley duplicate; same work as the VOR ingest). This file records Nayir_MoS2_silica_JPCC_2023_galley.pdf, which is the pre-publication galley of the J. Phys. Chem. C article (DOI 10.1021/acs.jpcc.3c01010) whose curation lives at [[2023nadire-nayir-j-phys-chem-modulation-effect]].
MD / DFT / CVD (N/A as standalone protocol text here). ReaxFF+DFT+experiment settings (e.g. 0.25 fs timestep, NVT+Berendsen+ADF/ReaxFF, PBC, silica prep, MoO\(_3\)/S\(_2\)/H\(_2\)S stages, CVD conditions) are not re-derived on this duplicate page. Use the VOR wiki page and JPCC SI for the actual Methods narrative; this slug is a provenance/duplicate record only. N/A — a separate FF or E-field / metadynamics method story not in the MoS\(_2\)/silica JPCC VOR+SI.
Findings¶
Qualitative conclusions match the VOR summary: surface hydroxylation increases reactivity toward MoO\(_3\) and enables substrate-mediated nucleation pathways that raise MoS\(_2\) coverage relative to passive supports in the authors’ comparison.
The operational finding for the knowledge base is that two PDF registrations (galley versus online/VOR-class) coexist for one DOI; downstream chunk and manifest tooling must keep pdf_sha256 aligned with the file actually on disk. When in doubt, prefer the VOR page for numerical citations and keep this galley note as a duplicate-ingest pointer.
Scholarly practice. In reference lists, cite the journal article once; mention galley duplication only in supplementary provenance notes or internal wiki links, not as if it were a distinct publication.
MAS note. Retrieval systems should deduplicate embeddings for these two slugs when answering questions about MoS\(_2\) on silica, routing users to [[2023nadire-nayir-j-phys-chem-modulation-effect]] for methods numbers and figures.
Limitations¶
Galley PDFs retain line numbers, may differ in layout from the issue PDF, and can lack final copy edits or figure tweaks—cite [[2023nadire-nayir-j-phys-chem-modulation-effect]] for publication references and locators.
Relevance to group¶
Workflow duplicate for the 2DCC / van Duin MoS\(_2\)-on-silica collaboration with Joan Redwing.
Citations and evidence anchors¶
Reader notes (navigation)¶
- Version of record:
[[2023nadire-nayir-j-phys-chem-modulation-effect]]Galley vs VOR. Prefer[[2023nadire-nayir-j-phys-chem-modulation-effect]]for stable pagination and final figures when citing MoS\(_2\)/silica growth chemistry.
Reproducibility and corpus locators¶
This note documents where to find primary evidence in-repo; it does not add new scientific claims beyond the cited publication.
Normalized layer. When present, normalized/papers/{slug}.json mirrors manifest hashes, bibliography fields, and extraction pointers; if pdf_path or PDF bytes change, follow AGENTS.md and docs/PHASE3_RUNBOOK.md to re-profile rather than editing PDFs in place.
Authority chain. For numerical settings (cutoffs, timesteps, ensembles, kinetics), use the peer-reviewed PDF (and publisher Supporting Information) as the authoritative source; this wiki summarizes for navigation and retrieval.