VOCs adsorption induced surface potential changes on phthalocyanines: A combined experimental and theoretical approach towards food freshness monitoring

Self-assembly induced tunable multiple fluorescence output from a white light-emitting functionalized single π-conjugated molecule and implication in VOC sensing applications

“…This may be due to the greater number of C-C bonds of 1-hexanol, which can effectively interact through hydrogen bonding using the -OH group. 77,78 The better interaction with L2 is attributed to the lower HOMOÀLUMO energy gap (2.96 eV) with a more planar geometry/conformation. Fig.…”

First-Principles Density Functional Theory Calculations on the Potential of Sc2CO2 MXene Nanosheets as a Dual-Mode Sensor for Detection of Volatile Organic Compounds in Exhaled Human Breath

“…Our obtained results have proved the same. Experimentally, the change in work function due to gas adsorption is estimated via Scanning Kelvin probe that has led to the realization of work-function-based gas sensors. ,, …”

“…The adsorption energy will give quantitative information about the interaction strength between the adsorbent and adsorbate. The adsorption energy of a gas molecule on the Sc 2 CO 2 nanosheet is calculated as, E ads = E normalT ( Sc 2 C O 2 + gas ) − E normalT ( Sc 2 C O 2 ) − E normalT ( gas ) where E T(Sc 2 CO 2 + gas) , E T(Sc 2 CO 2 ) , and E T(gas) are the total energies of Sc 2 CO 2 + gas system, Sc 2 CO 2 , and gas molecules, respectively. ,, A negative adsorption energy indicates that the interaction is exothermic and stable. Higher adsorption energy ensures more stability of the interacting systems. ,, …”

“…The adsorption energy of a gas molecule on the Sc 2 CO 2 nanosheet is calculated as, where E T(Sc 2 CO 2 + gas) , E T(Sc 2 CO 2 ) , and E T(gas) are the total energies of Sc 2 CO 2 + gas system, Sc 2 CO 2 , and gas molecules, respectively. ,, A negative adsorption energy indicates that the interaction is exothermic and stable. Higher adsorption energy ensures more stability of the interacting systems. ,, …”

Paving the Way for a Green Transition in the Design of Sensors and Biosensors for the Detection of Volatile Organic Compounds (VOCs)

“…Thus, it is constantly necessary to innovate in the field of food packaging, not only to reduce its environmental footprint, but also to increase its functions. In this scenario arises intelligent packaging, a new packaging technology that integrates traditional packaging systems with intelligent functionalities, including the monitoring of changes in the food product, as well as quality and safety information [ 136 , 137 ], by temperature, humidity, pH, and light exposure measurements [ 138 , 139 , 140 , 141 ], or through the detection of specific VOCs [ 134 , 142 , 143 , 144 , 145 ]. For example, 1-butanol (C 4 H 10 O), 1-hexanol (C 6 H 14 O), 2-ethyl-hexanol (C 8 H 18 O), 1-octen-3-ol (C 8 H 16 O), butanal (C 4 H 8 O), hexanal (C 6 H 12 O) and nonanal (C 9 H 18 O), which are indicators of freshness in food products, while other VOCs, such as fatty volatile acids, are produced during the spoilage of foods [ 146 ].…”