Phosphorus carbides: theory and experiment

Abstract

The recent finding that radio frequency plasma activation of CH 4 /PH 3 gas mixtures can yield films with P : C ratios ≤ 3 has served to trigger further research into new 'phosphorus carbide' materials. Theoretical and experimental results relating to periodic and amorphous materials, respectively, are presented here: (i) The electronic structure and stability of different crystalline phosphorus carbide P x C y phases have been studied using first-principles densityfunctional theory. Calculations have been carried out for P 4 C 3ϩ8n (n = 0-4), PC, and PC 3 and the most likely periodic structures examined in detail. Particular attention is paid to the composition PC 3 , for which there are several possibilities of similar energy. (ii) Recent experimental efforts have involved use of pulsed laser ablation methods to produce hydrogen-free phosphorus carbide thin films. Mechanically hard, electrically conducting diamond like carbon films containing 0-∼26 at.% P have been deposited on both Si and quartz substrates by 193 nm PLA of graphite/phosphorus targets (containing varying percentages of phosphorus), at a range of substrate temperatures (T sub = 298-700 K), in vacuum, and analysed via laser Raman and X-ray photoelectron spectroscopy.

Production of (Mn,Fe)-Carbide Containing Low Phosphorus by Carbothermic Reduction of Mn Oxide and Fe Oxide

“…5) Above all, it is not possible to carburize phosphorus because it requires huge amount of energy for the formation of phosphorus carbide. That is, in contrast with the computational prediction 6) estimating the possible crystal structure of phosphorus carbide, in practice, it is extremely difficult to synthesize phosphorus carbide in general experimental conditions of reduction system. Based on the above evidence, the removal of phosphorus could be carried out through the carbide formation from high phosphorus manganese ores.…”

Carbon phosphide monolayers with superior carrier mobility

“…Later, synthesis of amorphous CP films using radio frequency plasma deposition with CH 4 and PH 3 gas mixtures was reported 17,18 . The ratio of P/C in their samples can be widely controlled via the ratio of PH 3 /PH 4 gas 17,18 , which led to the efforts of producing CP films using pulsed laser deposition 19,20 and magnetron sputtering techniques 21 .…”

“…Theoretically, the 4 properties of bulk phases of crystalline phosphide with a range of stoichiometric compositions were investigated via density functional theory 19,22 . Various phases with three-and four-fold coordinated P atoms have been predicted 22 .…”

Heteroatom Doped Multi-Layered Graphene Material for Hydrogen Storage Application

“…H 3 PO 4 is a standout amongst the most cheap and regularly utilized activation and doping agents containing phosphorous [47] [48]. P-doped graphene could likewise be synthesized by other P-containing organics such as triphenyl phosphine or ammonium phosphate [49] [56] [60]- [65]. The structural, chemical, morphological and textural characteristics of the synthesized materials have been examined by powder X-ray diffraction patterns (PXRD), Fourier transform infrared spectroscopy (FT-IR), Confocal Raman spectroscopy, BET-N 2 adsorption/desorption isotherms, high resolution scanning electron microscopy (HRSEM), high resolution Transmission electron microscopy (HRTEM), and X-ray photoelectron spectroscopy (XPS).…”