Structural and electronic properties of M-MOF-74 (M = Mg, Co or Mn)

Near‐Zero Power MOF‐Based Sensors for NO2 Detection

“…[ 41,42 ] Considering electronic structure calculations of MOF‐74 from several different studies, it is apparent that the metal centers in both Ni‐ and Co‐MOF‐74 contribute significantly to electronic states at the band gap edges, while Mg 2+ in Mg‐MOF‐74 do not. [ 35,40,43 ] Because NO 2 has been shown to adsorb to the metal sites, [ 35,40 ] changes to the resistivity of Mg‐MOF‐74 upon NO 2 adsorption are expected to be significantly smaller. Thus, the fewer NO 2 molecules that adsorb to Mg‐MOF‐74 are expected to contribute less to changes in R MOF than in Co‐ and Ni‐MOF‐74, consistent with the presented data.…”

“…[30] A well-known family of MOFs, MOF-74 (CPO-27) has been extensively studied for the interaction of the metal center (Mg, Ni, Co, Zn) with different acid gases, such as NO x , SO x , CO 2 , and H 2 O, and the competitive binding of each investigated by both computational and experimental methods. [17] Current literature has highlighted the uniqueness of electronic structure in MOF-74 as a function of metal choice [31] and response to various adsorbed gases. [32,17] Each adsorbed gas has been calculated to modify M-MOF-74 electronic structures to a varying degree, indicating the possibility for sensing of unique chemical species.…”

Depth-dependent decoherence caused by surface and external spins for NV centers in diamond

“…The plasma-related processes were performed using an ICP RIE reactor (Oxford PlasmaPro NGP80 machine equipped with ICP source). In order to obtain an efficient etching rate, we performed the plasma etching on the diamond sample in conditions of 200 W ICP power, 30 mTorr chamber pressure, 10 sccm of oxygen, 5 sccm of argon, which was different from that used in the previous works [16,18,19]. By depositing a mask (lithographypatterned AZ 6112 photoresist) on a part of the sample's surface to protect it from etching, we could get a reference point of the initial depth, with respect to which we could determine the etching rate and depth from surface topography analysis with the atomic force microscope (AFM).…”

“…Conventionally, low-energy nitrogen-implantation [12] and the epitaxial growth of a high quality nitrogen-doped CVD diamonds followed by electron [13] or ion irradiation [14] are the methods to make shallow NV centers. Moreover, in order to bring an NV center closer to the diamond surface step by step to investigate the depth dependence of its properties, thermal oxidation [11,15,16] and plasma etching [16][17][18][19] methods have been developed and widely used in the recent years. Compared with thermal oxidation which performs an etching on the entire diamond sample surface, plasma etching method makes it possible to etch a specific area of the sample by previously depositing a mask on the surface [19].…”

IRMOF‐8: Theoretical evaluation of aluminum doping on hydrogen, methane, and hydrogen sulfide adsorption

“…[80] Following the literature, this cation-π interaction could be partly explained in terms of electrostatic interaction contributions. [81,[94][95][96][97][98][99] The cluster structures with the naphthalene ring and the COO − group with and without the Al atoms have NICS calculated. The NICS(0) and NICS (1) values of the cluster structure without Al atoms are −1.480 and −7.426 ppm, respectively, showing that the aromaticity is decreased.…”