Expand mechanism full-name labels (CV: 9 ID + 4 OOD; TPD: 11 ID + 2 OOD)

plotting.py

@@ -66,21 +66,37 @@ MECH_COLORS_TPD = {
 
 
 MECH_FULL_NAMES_EC = {
-    "BV": "Butler–Volmer",
-    "MHC": "Marcus–Hush–Chidsey",
-    "Nernst": "Nernstian (reversible)",
-    "Ads": "Adsorption-coupled",
-    "EC": "EC mechanism",
-    "LH": "Langmuir–Hinshelwood",
+    "Nernst": "Nernstian (reversible electron transfer)",
+    "BV": "Butler–Volmer (quasi-reversible electron transfer)",
+    "MHC": "Marcus–Hush–Chidsey (non-adiabatic electron transfer)",
+    "Ads": "surface-adsorbed redox couple",
+    "EC": "electron transfer followed by chemical step",
+    "LH": "Langmuir–Hinshelwood surface reaction",
+    "EE": "two sequential electron transfers",
+    "EC_prime": "electron transfer with catalytic regeneration",
+    "CE": "chemical step preceding electron transfer",
+    # OOD (not in trained set)
+    "ECE": "electron transfer–chemical step–electron transfer",
+    "EC_LH": "EC followed by Langmuir–Hinshelwood",
+    "MHC_EC": "Marcus–Hush–Chidsey followed by chemical step",
+    "MHC_LH": "Marcus–Hush–Chidsey followed by Langmuir–Hinshelwood",
 }
 
 MECH_FULL_NAMES_TPD = {
-    "FirstOrder": "1st-Order",
-    "SecondOrder": "2nd-Order",
-    "LH_Surface": "LH Surface",
-    "MvK": "Mars–van Krevelen",
-    "FirstOrderCovDep": "1st-Order Cov-Dep",
-    "DiffLimited": "Diff-Limited",
+    "FirstOrder": "1st-order desorption",
+    "SecondOrder": "2nd-order recombinative desorption",
+    "ZerothOrder": "0th-order (multilayer) desorption",
+    "LH_Surface": "Langmuir–Hinshelwood surface reaction",
+    "MvK": "Mars–van Krevelen (lattice oxygen)",
+    "FirstOrderCovDep": "1st-order with coverage-dependent Ed",
+    "DiffLimited": "diffusion-limited desorption",
+    "PrecursorMediated": "precursor-mediated desorption",
+    "Dissociative": "dissociative desorption",
+    "ActivatedAdsorption": "desorption with activated re-adsorption",
+    "TwoSite": "two-site (heterogeneous) desorption",
+    # OOD (not in trained set)
+    "EleyRideal": "Eley–Rideal surface reaction",
+    "BimolecularCovDep": "bimolecular coverage-dependent desorption",
 }
 
 
@@ -106,7 +122,7 @@ def plot_mechanism_probs(probs_dict, domain="ec"):
     bar_colors = [colors.get(n, COLORS["neutral"]) for n in names]
     display_names = [f"{n} ({full_names.get(n, n)})" for n in names]
 
-    fig, ax = plt.subplots(figsize=(9, max(3, len(names) * 0.7)))
+    fig, ax = plt.subplots(figsize=(11, max(3, len(names) * 0.7)))
     bars = ax.barh(range(len(names)), probs, color=bar_colors, edgecolor="white",
                    linewidth=0.5, height=0.7)