00820nas a2200217 4500008004100000022001400041245008900055210006900144260007300213300001400286490000600300520003200306653001800338653002600356653001200382653001300394100002300407700002500430700002900455856011800484 2007 eng d a1566-736700aTethered Pd-complex on solid support: catalyst for acid-free carbonylation reactions0 aTethered Pdcomplex on solid support catalyst for acidfree carbon aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcSEP a1386-13920 v83 a

{Palladium complex [

10adecomposition10adirect H2O2 synthesis10ahalides10aPromoter1 aSarkar, Bibbas, R.1 aMukhopadhyay, Kausik1 aChaudhari, Raghunath, V. uhttps://library.ncl.res.in/content/tethered-pd-complex-solid-support-catalyst-acid-free-carbonylation-reactions-002247nas a2200301 4500008004100000022001400041245013300055210006900188260000800257300001400265490000600279520122600285653001701511653002201528653002101550653002401571653002101595653002601616100002401642700002601666700002001692700002101712700001801733700001701751700002501768700002301793856012901816 2023 eng d a2574-096200aTheory-directed designing of an intrinsic-activity-modulated metal-doped copper oxide electrode for nitrate to ammonia synthesis0 aTheorydirected designing of an intrinsicactivitymodulated metald cMAY a6111-61190 v63 a

Synthesis of ammonia via electrochemical reduction ofnitrate isone of the most sustainable routes both for environmental protectionas well as energy saving initiatives. However, this process is limitedto the development of high-performance free-standing catalytic electrodeswith improved selectivity and Faradaic efficiency. Herein, we reporttheory-guided designing and fabrication of free-standing non-noblemetal (Mn, Fe, and Co)-doped copper oxide (CuO) electrodes by usinga simple and scalable electrode preparation method. The density functionaltheory (DFT)-based calculations show that the doped-Co sites in theCu surface facilitate the generation and supply of H+ tothe adsorbed NO3 (-) during the reductionprocess; as a result, the Co-CuO catalyst displays higher selectivitytoward nitrate reduction. The Co-doped Cu electrode (Co-CuO)delivers a higher NH3 yield (5492 mu g cm(-2)) at a reduction potential of -0.91 V vs RHE while maintaininga Faradaic efficiency of >95%. The alloying of Co to the coppermetalnot only facilitates the proton donation to the adsorbed reactant(NO3 (-)) but also tunes the Cu d-center,resulting in the active site modulation responsible for the activationof catalysts.

10aActive sites10aammonia synthesis10aelectrocatalysis10aFaradaic efficiency10aHigh selectivity10ametal-doped electrode1 aTyagi, Nitin, Kumar1 aMahapatra, Bikash, K.1 aGhimire, Suvash1 aManna, Narugopal1 aKumar, Deepak1 aKumar, Vijay1 aMukhopadhyay, Kausik1 aSingh, Santosh, K. uhttps://library.ncl.res.in/content/theory-directed-designing-intrinsic-activity-modulated-metal-doped-copper-oxide-electrode