semiconductors: Band gaps and band edge potentials for semiconductors

In solarchemist/bandgaps: Band Gaps and Edges for Some Semiconductors

Band gaps and band edge potentials for semiconductors

Description

A dataset listing band gaps and band edge potentials for semiconductor materials. Sourced from primary literature sources.

Usage

semiconductors

Format

A data frame with 27 rows and 14 variables:

id

label used for uniquely identifying each row

formula

The compound's chemical formula.

polymorph

Polymorph, e.g., anatase, brookite.

xtal.size

Crystallite size, e.g., bulk, micro, nano.

sctype

Semiconductor type, i.e., n or p.

class

Material class, e.g., oxide, sulfide, nitride.

CB

Conduction band edge potential/V(SHE).

VB

Valence band edge potential/V(SHE).

Eg

Band gap/V(SHE)

transition

Transition type: direct, indirect, etc.

pH

The pH at which the reported CB/VB occurs.

pH.ZPC

The pH at which the material's surface is neutral.

Nernstian

Does semiconductor obey Nernstian pH behaviour? Boolean.

ref

Bibtex reference key. See bib-file in /vignettes/references.bib

comment

Free-form comment.

Author(s)

Taha Ahmed

solarchemist/bandgaps documentation built on July 9, 2023, 3:59 a.m.